2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

• ChemBase ID: 785847
• Molecular Formular: C13H22N4O3
• Molecular Mass: 282.33878
• Monoisotopic Mass: 282.16919058
• SMILES: C12(N=C(NC1=O)COC)CCN(C(=O)NCCC)CC2
• Canonical SMILES: CCCNC(=O)N1CCC2(CC1)N=C(NC2=O)COC
• InChI: InChI=1S/C13H22N4O3/c1-3-6-14-12(19)17-7-4-13(5-8-17)11(18)15-10(16-13)9-20-2/h3-9H2,1-2H3,(H,14,19)(H,15,16,18)
• InChIKey: ZQVGNVXYEIGEIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• IUPAC Traditional name: 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
• Synonyms: 2-(methoxymethyl)-4-oxo-N-propyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.947097
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0292822
• LogD (pH = 7.4): -1.0268586
• Log P: -1.0268265
• Molar Refractivity: 73.488 cm^3
• Polarizability: 28.270163 Å^3
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.8
• LOG S: -1.03
• Polar Surface Area: 83.03 Å^2
• Rotatable Bonds: 4