8-(2-methyloxolane-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 398848
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1(OCCC1)C)CC2)CCc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCc1ccccc1)CCN(CC2)C(=O)C1(C)CCCO1
• InChI: InChI=1S/C21H28N2O4/c1-20(9-5-15-26-20)18(24)22-13-10-21(11-14-22)16-23(19(25)27-21)12-8-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3
• InChIKey: IXMDFUYOJYLILQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methyloxolane-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-methyloxolane-2-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2-methyltetrahydrofuran-2-yl)carbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9318316
• LogD (pH = 7.4): 1.9318316
• Log P: 1.9318316
• Molar Refractivity: 101.3464 cm^3
• Polarizability: 39.584335 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.38
• LOG S: -3.95
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4