N-{[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl}-N-cyclopropylpyridine-2-carboxamide

• ChemBase ID: 691133
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: N(C(=O)c1ncccc1)(C1CC1)Cc1ccc(OCC2CC=CCC2)cc1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccc(cc1)OCC1CCC=CC1)c1ccccn1
• InChI: InChI=1S/C23H26N2O2/c26-23(22-8-4-5-15-24-22)25(20-11-12-20)16-18-9-13-21(14-10-18)27-17-19-6-2-1-3-7-19/h1-2,4-5,8-10,13-15,19-20H,3,6-7,11-12,16-17H2
• InChIKey: DGMDCNCPJZYIHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl}-N-cyclopropylpyridine-2-carboxamide
• IUPAC Traditional name: N-{[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl}-N-cyclopropylpyridine-2-carboxamide
• Synonyms: N-[4-(3-cyclohexen-1-ylmethoxy)benzyl]-N-cyclopropyl-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.224129
• LogD (pH = 7.4): 4.224144
• Log P: 4.224144
• Molar Refractivity: 107.5495 cm^3
• Polarizability: 41.098278 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.13
• LOG S: -5.39
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7