N-[4-[2-Cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamide
Basic information
- CAS
94200-84-7- Standard SMILES
CCN(CCO)c1ccc(N=C2C=C(C(=O)NCCCCOc3ccc(C(C)(C)C)cc3C3CCCC3)C(=O)c3ccccc32)c(C)c1- InChIKey
VDEDPTHMIPKIFK-UHFFFAOYSA-N- Molecular formula
- C41H51N3O4
- Average molar mass
- 649.9 g/mol
- Monoisotopic mass
- 649.38795712
Names & identifiers
- Preferred name
- N-[4-[2-Cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamide
- IUPAC
- N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamide
- English name
- N-[4-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide
- Molecular formula
- C41H51N3O4
- Molecular weight
- 649.86
Names & synonyms
94200-84-7N-[4-[2-Cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-2-naphthalenecarboxamideN-(4-(2-Cyclopentyl-4-(1,1-dimethylethyl)phenoxy)butyl)-4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-1,4-dihydro-1-oxo-2-naphthalenecarboxamideRefChem:361633EINECS 303-564-9N-(4-(2-Cyclopentyl-4-(1,1-dimethylethyl)phenoxy)butyl)-4-((4-(ethyl(2-hydroxyethyl)amino)-2-methylphenyl)imino)-1,4-dihydro-1-oxonaphthalene-2-carboxamideVDEDPTHMIPKIFK-UHFFFAOYSA-NDTXSID401099979NS00065284N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-4-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino-1-oxonaphthalene-2-carboxamideN-[4-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxonaphthalene-2-carboxamide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,120
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 811.019 · 811.019±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.144 · 1.144±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.026 · 12.026±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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