Basic information
- CAS
101756-22-3- Standard SMILES
CCOC(=O)C(CC)(C(=O)NCCCN1CCOCC1)c1ccccc1- InChIKey
RNESLQNPFRXTQB-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.22055744
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-N-(3-morpholinopropyl)-2-phenyl-, ethyl ester
- IUPAC
- ethyl 2-(3-morpholin-4-ylpropylcarbamoyl)-2-phenylbutanoate
- English name
- N-(3-Morpholinopropyl)phenylethylmalonamidic acid ethyl ester
- Molecular formula
- C20H30N2O4
- Molecular weight
- 362.46
Names & synonyms
BR 91BRN 10902062-Ethyl-N-(3-morpholinopropyl)-2-phenyl-malonamic acid ethyl ester101756-22-3MALONAMIC ACID, 2-ETHYL-N-(3-MORPHOLINOPROPYL)-2-PHENYL-, ETHYL ESTERRefChem:351818SCHEMBL30046972DTXSID109065892-(Ethoxycarbonyl)-N-[3-(morpholin-4-yl)propyl]-2-phenylbutanimidic acidBR-91N-(3-Morpholinopropyl)phenylethylmalonamidic acid ethyl ester
Database identifiers
- CAS
101756-22-3- PubChem CID
- 58839
- DTXSID
DTXSID10906589- Nikkaji
- J147.597E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 544.29 · 544.290±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.943 · 13.943±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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