N'-cycloheptyl-N-[2-methyl-2-(morpholin-4-yl)propyl]butanediamide

• ChemBase ID: 531823
• Molecular Formular: C19H35N3O3
• Molecular Mass: 353.4995
• Monoisotopic Mass: 353.267842
• SMILES: N1(C(CNC(=O)CCC(=O)NC2CCCCCC2)(C)C)CCOCC1
• Canonical SMILES: O=C(NCC(N1CCOCC1)(C)C)CCC(=O)NC1CCCCCC1
• InChI: InChI=1S/C19H35N3O3/c1-19(2,22-11-13-25-14-12-22)15-20-17(23)9-10-18(24)21-16-7-5-3-4-6-8-16/h16H,3-15H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: ZIJPTYRPUAFEDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cycloheptyl-N-[2-methyl-2-(morpholin-4-yl)propyl]butanediamide
• IUPAC Traditional name: N'-cycloheptyl-N-[2-methyl-2-(morpholin-4-yl)propyl]succinamide
• Synonyms: N-cycloheptyl-N'-(2-methyl-2-morpholin-4-ylpropyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.636097
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.13409719
• LogD (pH = 7.4): 1.0805776
• Log P: 1.1761189
• Molar Refractivity: 98.7406 cm^3
• Polarizability: 38.909702 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.46
• LOG S: -3.88
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7