N-cyclopentyl-2-[cyclopropyl(1H-indol-5-ylmethyl)amino]propanamide

• ChemBase ID: 825112
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: N(C1CC1)(C(C(=O)NC1CCCC1)C)Cc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(C(N(C1CC1)Cc1ccc2c(c1)cc[nH]2)C)NC1CCCC1
• InChI: InChI=1S/C20H27N3O/c1-14(20(24)22-17-4-2-3-5-17)23(18-7-8-18)13-15-6-9-19-16(12-15)10-11-21-19/h6,9-12,14,17-18,21H,2-5,7-8,13H2,1H3,(H,22,24)
• InChIKey: ZUCJOBNTAYGYDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[cyclopropyl(1H-indol-5-ylmethyl)amino]propanamide
• IUPAC Traditional name: N-cyclopentyl-2-[cyclopropyl(1H-indol-5-ylmethyl)amino]propanamide
• Synonyms: N-cyclopentyl-2-[cyclopropyl(1H-indol-5-ylmethyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.668689
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0934303
• LogD (pH = 7.4): 2.8052442
• Log P: 3.297152
• Molar Refractivity: 96.609 cm^3
• Polarizability: 38.942963 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.3
• LOG S: -4.39
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 6