7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 709861
• Molecular Formular: C17H28N2O3
• Molecular Mass: 308.41582
• Monoisotopic Mass: 308.20999277
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)CCOCC)CC1
• Canonical SMILES: CCOCCC(=O)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C17H28N2O3/c1-2-22-11-6-15(20)19-10-8-17(13-19)7-3-9-18(16(17)21)12-14-4-5-14/h14H,2-13H2,1H3
• InChIKey: PHQMKBSQWARDAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5692479
• LogD (pH = 7.4): 0.5692493
• Log P: 0.5692493
• Molar Refractivity: 84.7156 cm^3
• Polarizability: 32.98401 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.24
• LOG S: -2.51
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 6