N-cyclopentyl-N-(3-phenylprop-2-yn-1-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 526622
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: C(=O)(N(C1CCCC1)CC#Cc1ccccc1)CN1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)CC#Cc1ccccc1)CN1CCCC1
• InChI: InChI=1S/C20H26N2O/c23-20(17-21-14-6-7-15-21)22(19-12-4-5-13-19)16-8-11-18-9-2-1-3-10-18/h1-3,9-10,19H,4-7,12-17H2
• InChIKey: KEEOBOZNRIFFMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-(3-phenylprop-2-yn-1-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-cyclopentyl-N-(3-phenylprop-2-yn-1-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-cyclopentyl-N-(3-phenylprop-2-yn-1-yl)-2-pyrrolidin-1-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9850666
• LogD (pH = 7.4): 2.7171059
• Log P: 3.2673788
• Molar Refractivity: 91.887 cm^3
• Polarizability: 36.297073 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.71
• LOG S: -4.63
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6