N-{2-[methyl(2-phenylethyl)amino]propyl}-N-phenylpropanamide

• ChemBase ID: 1297
• Molecular Formular: C21H28N2O
• Molecular Mass: 324.45982
• Monoisotopic Mass: 324.22016353
• SMILES: O=C(N(CC(N(CCc1ccccc1)C)C)c1ccccc1)CC
• Canonical SMILES: CCC(=O)N(c1ccccc1)CC(N(CCc1ccccc1)C)C
• InChI: InChI=1S/C21H28N2O/c1-4-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3
• InChIKey: RXTHKWVSXOIHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[methyl(2-phenylethyl)amino]propyl}-N-phenylpropanamide
• IUPAC Traditional name: diampromide
• Synonyms: Diampromide; Diampromide

Database IDs

• CAS Number: 552-25-0
• PubChem SID: 46505265; 160964757
• PubChem CID: 62370
• Chemspider ID: 56158
• DrugBank ID: DB01502
• Unique Ingredient Identifier: 26G7YC77BU
• Wikipedia Title: Diampromide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1724204
• LogD (pH = 7.4): 2.866086
• Log P: 4.223912
• Molar Refractivity: 100.4693 cm^3
• Polarizability: 39.19359 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 3.95
• LOG S: -4.07
• Solubility (Water): 2.76e-02 g/l

DETAILS

DrugBank - DB01502

Drug information: illicit; experimental