3-oxo-2-(3-phenylpropyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 464118
• Molecular Formular: C21H31N3O2
• Molecular Mass: 357.48974
• Monoisotopic Mass: 357.24162725
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)NCCC)CC2)CCCc1ccccc1
• Canonical SMILES: CCCNC(=O)N1CCC2(CC1)CC(=O)N(C2)CCCc1ccccc1
• InChI: InChI=1S/C21H31N3O2/c1-2-12-22-20(26)23-14-10-21(11-15-23)16-19(25)24(17-21)13-6-9-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3,(H,22,26)
• InChIKey: BBTFLFQJVOAGCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-oxo-2-(3-phenylpropyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: 3-oxo-2-(3-phenylpropyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide
• Synonyms: 3-oxo-2-(3-phenylpropyl)-N-propyl-2,8-diazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -4.76
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• H Acceptors: 2
• H Donor: 1
• Log P: 3.46

JChem

• Molar Refractivity: 103.635 cm^3
• Polarizability: 40.045517 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.429482
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0842018
• LogD (pH = 7.4): 2.0842023
• Log P: 2.0842023