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

• ChemBase ID: 475888
• Molecular Formular: C19H35N3O3
• Molecular Mass: 353.4995
• Monoisotopic Mass: 353.267842
• SMILES: N1(CCC(NC(=O)CCC(=O)NC2CCCCCC2)C)CCOCC1
• Canonical SMILES: CC(NC(=O)CCC(=O)NC1CCCCCC1)CCN1CCOCC1
• InChI: InChI=1S/C19H35N3O3/c1-16(10-11-22-12-14-25-15-13-22)20-18(23)8-9-19(24)21-17-6-4-2-3-5-7-17/h16-17H,2-15H2,1H3,(H,20,23)(H,21,24)
• InChIKey: BKKUCFCKKGAESM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cycloheptyl-N-[4-(morpholin-4-yl)butan-2-yl]butanediamide
• IUPAC Traditional name: N'-cycloheptyl-N-[4-(morpholin-4-yl)butan-2-yl]succinamide
• Synonyms: N-cycloheptyl-N'-(1-methyl-3-morpholin-4-ylpropyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574465
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.71427906
• LogD (pH = 7.4): 0.7556701
• Log P: 0.955502
• Molar Refractivity: 98.9678 cm^3
• Polarizability: 38.909702 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.2
• LOG S: -3.65
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 8