N-cyclopentyl-2-{[1-(morpholin-4-ylmethyl)cyclohexyl]amino}propanamide

• ChemBase ID: 483078
• Molecular Formular: C19H35N3O2
• Molecular Mass: 337.5001
• Monoisotopic Mass: 337.27292738
• SMILES: C(=O)(NC1CCCC1)C(NC1(CN2CCOCC2)CCCCC1)C
• Canonical SMILES: O=C(C(NC1(CCCCC1)CN1CCOCC1)C)NC1CCCC1
• InChI: InChI=1S/C19H35N3O2/c1-16(18(23)20-17-7-3-4-8-17)21-19(9-5-2-6-10-19)15-22-11-13-24-14-12-22/h16-17,21H,2-15H2,1H3,(H,20,23)
• InChIKey: VOVNXJARGJKYRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-{[1-(morpholin-4-ylmethyl)cyclohexyl]amino}propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{[1-(morpholin-4-ylmethyl)cyclohexyl]amino}propanamide
• Synonyms: N-cyclopentyl-2-{[1-(morpholin-4-ylmethyl)cyclohexyl]amino}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.765345
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9354694
• LogD (pH = 7.4): 0.4802789
• Log P: 2.1484878
• Molar Refractivity: 96.4014 cm^3
• Polarizability: 38.490273 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.01
• LOG S: -4.23
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 6