N-cyclopentyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)ethyl]amino}propanamide

• ChemBase ID: 562807
• Molecular Formular: C18H27N3O
• Molecular Mass: 301.42648
• Monoisotopic Mass: 301.2154125
• SMILES: C(=O)(NC1CCCC1)C(NCCN1c2c(CC1)cccc2)C
• Canonical SMILES: O=C(C(NCCN1CCc2c1cccc2)C)NC1CCCC1
• InChI: InChI=1S/C18H27N3O/c1-14(18(22)20-16-7-3-4-8-16)19-11-13-21-12-10-15-6-2-5-9-17(15)21/h2,5-6,9,14,16,19H,3-4,7-8,10-13H2,1H3,(H,20,22)
• InChIKey: USHHJQDFUPMIDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)ethyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[2-(2,3-dihydroindol-1-yl)ethyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)ethyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.750289
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.0733918
• LogD (pH = 7.4): 1.6473883
• Log P: 2.5749576
• Molar Refractivity: 90.2312 cm^3
• Polarizability: 34.770336 Å^3
• Polar Surface Area: 44.37 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: 3.14
• LOG S: -4.08
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6