N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-2-phenylacetamide

HCID 5243262

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Basic information

CAS: 5951-29-1
Standard SMILES: CC(C)CCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)Cc1ccccc1
InChIKey: BJEZCIGWLOEYCE-UHFFFAOYSA-N
Molecular formula: C33H42FN3O2
Average molar mass: 531.7 g/mol
Monoisotopic mass: 531.32610575

Names & identifiers

Preferred name: N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-2-phenylacetamide
IUPAC: N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-2-phenylacetamide

Names & synonyms

5951-29-1N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-2-phenylacetamideDTXSID30412718N-Cyclohexyl-N-({1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N~2~-(3-methylbutyl)-N~2~-(phenylacetyl)glycinamide

Database identifiers

CAS: 5951-29-1
PubChem CID: 5243262
DTXSID: DTXSID30412718

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 45.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 39
Formal charge: 0
Complexity: 741

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