N-[4-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide

• ChemBase ID: 610850
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(Nc1ccc(OCC(=O)NCCC2=CCCCC2)cc1)CC
• Canonical SMILES: CCC(=O)Nc1ccc(cc1)OCC(=O)NCCC1=CCCCC1
• InChI: InChI=1S/C19H26N2O3/c1-2-18(22)21-16-8-10-17(11-9-16)24-14-19(23)20-13-12-15-6-4-3-5-7-15/h6,8-11H,2-5,7,12-14H2,1H3,(H,20,23)(H,21,22)
• InChIKey: ZKFFXGYXFAIFLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• IUPAC Traditional name: N-[4-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methoxy)phenyl]propanamide
• Synonyms: N-(4-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethoxy}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.574378
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7238562
• LogD (pH = 7.4): 2.7238562
• Log P: 2.7238562
• Molar Refractivity: 96.0876 cm^3
• Polarizability: 36.37795 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.22
• LOG S: -4.36
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8