2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 848294
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: N1(C(=O)C(CC2(C1)CCN(CC1CC1)CC2)c1ccccc1)C1CC1
• Canonical SMILES: O=C1C(CC2(CN1C1CC1)CCN(CC2)CC1CC1)c1ccccc1
• InChI: InChI=1S/C22H30N2O/c25-21-20(18-4-2-1-3-5-18)14-22(16-24(21)19-8-9-19)10-12-23(13-11-22)15-17-6-7-17/h1-5,17,19-20H,6-16H2
• InChIKey: KKJIXHQMVSUZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-9-(cyclopropylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.42616355
• LogD (pH = 7.4): 0.7127367
• Log P: 2.997645
• Molar Refractivity: 100.9729 cm^3
• Polarizability: 39.626568 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.41
• LOG S: -4.58
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4