8-(2-amino-2-methylpropanoyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 340076
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)C(N)(C)C)CCC2)Cc1ccccc1
• Canonical SMILES: O=C1CCC2(CN1Cc1ccccc1)CCCN(C2)C(=O)C(N)(C)C
• InChI: InChI=1S/C20H29N3O2/c1-19(2,21)18(25)22-12-6-10-20(14-22)11-9-17(24)23(15-20)13-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15,21H2,1-2H3
• InChIKey: GDSSIJZYTDZQIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-amino-2-methylpropanoyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(2-amino-2-methylpropanoyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-8-(2-methylalanyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5211561
• LogD (pH = 7.4): 0.0062993364
• Log P: 1.259388
• Molar Refractivity: 98.4469 cm^3
• Polarizability: 38.592697 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -3.12
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 3