N,N-dimethyl-2-{2-[({1-oxaspiro[4.5]decan-3-yl}carbamoyl)amino]phenyl}acetamide

• ChemBase ID: 630684
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C(=O)(Nc1c(CC(=O)N(C)C)cccc1)NC1CC2(OC1)CCCCC2
• Canonical SMILES: O=C(Nc1ccccc1CC(=O)N(C)C)NC1COC2(C1)CCCCC2
• InChI: InChI=1S/C20H29N3O3/c1-23(2)18(24)12-15-8-4-5-9-17(15)22-19(25)21-16-13-20(26-14-16)10-6-3-7-11-20/h4-5,8-9,16H,3,6-7,10-14H2,1-2H3,(H2,21,22,25)
• InChIKey: DCKKQXHKXLYRGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{2-[({1-oxaspiro[4.5]decan-3-yl}carbamoyl)amino]phenyl}acetamide
• IUPAC Traditional name: N,N-dimethyl-2-{2-[({1-oxaspiro[4.5]decan-3-yl}carbamoyl)amino]phenyl}acetamide
• Synonyms: N,N-dimethyl-2-(2-{[(1-oxaspiro[4.5]dec-3-ylamino)carbonyl]amino}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.153018
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.00351
• LogD (pH = 7.4): 2.0035093
• Log P: 2.0035102
• Molar Refractivity: 101.9315 cm^3
• Polarizability: 38.88982 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.71
• LOG S: -3.28
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4