N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 445337
• Molecular Formular: C18H23N5O5
• Molecular Mass: 389.40572
• Monoisotopic Mass: 389.16991886
• SMILES: N1(C(=O)N(C2(C1=O)CCN(C(=O)Nc1cc(C(=O)N)c(cc1)OC)CC2)C)C
• Canonical SMILES: COc1ccc(cc1C(=O)N)NC(=O)N1CCC2(CC1)N(C)C(=O)N(C2=O)C
• InChI: InChI=1S/C18H23N5O5/c1-21-15(25)18(22(2)17(21)27)6-8-23(9-7-18)16(26)20-11-4-5-13(28-3)12(10-11)14(19)24/h4-5,10H,6-9H2,1-3H3,(H2,19,24)(H,20,26)
• InChIKey: DDBQYRGVGNQKSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
• Synonyms: N-[3-(aminocarbonyl)-4-methoxyphenyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.175054
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.9203529
• LogD (pH = 7.4): -0.9203525
• Log P: -0.9203527
• Molar Refractivity: 101.275 cm^3
• Polarizability: 37.542465 Å^3
• Polar Surface Area: 125.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.97
• LOG S: -2.52
• Polar Surface Area: 125.28 Å^2
• Rotatable Bonds: 3