3-amino-N-(butan-2-yl)-N-cyclopentylpropanamide

• ChemBase ID: 597416
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: C(=O)(N(C1CCCC1)C(CC)C)CCN
• Canonical SMILES: NCCC(=O)N(C1CCCC1)C(CC)C
• InChI: InChI=1S/C12H24N2O/c1-3-10(2)14(12(15)8-9-13)11-6-4-5-7-11/h10-11H,3-9,13H2,1-2H3
• InChIKey: ZUENPHWKXCZSEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(butan-2-yl)-N-cyclopentylpropanamide
• IUPAC Traditional name: 3-amino-N-cyclopentyl-N-(sec-butyl)propanamide
• Synonyms: 3-amino-N-(sec-butyl)-N-cyclopentylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5534956
• LogD (pH = 7.4): -0.33075014
• Log P: 1.380554
• Molar Refractivity: 62.423 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.91
• LOG S: -2.38
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5