N-(2-methoxyethyl)-N-methyl-2-(5-{[methyl(propan-2-yl)amino]methyl}-1H-1,2,3,4-tetrazol-1-yl)acetamide

• ChemBase ID: 519833
• Molecular Formular: C12H24N6O2
• Molecular Mass: 284.35796
• Monoisotopic Mass: 284.19607404
• SMILES: n1(c(nnn1)CN(C(C)C)C)CC(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)Cn1nnnc1CN(C(C)C)C)C
• InChI: InChI=1S/C12H24N6O2/c1-10(2)17(4)8-11-13-14-15-18(11)9-12(19)16(3)6-7-20-5/h10H,6-9H2,1-5H3
• InChIKey: JLUUAFMMVSSGSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-methyl-2-(5-{[methyl(propan-2-yl)amino]methyl}-1H-1,2,3,4-tetrazol-1-yl)acetamide
• IUPAC Traditional name: 2-(5-{[isopropyl(methyl)amino]methyl}-1,2,3,4-tetrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
• Synonyms: 2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.8429167
• LogD (pH = 7.4): -0.8412793
• Log P: -0.78792477
• Molar Refractivity: 89.3154 cm^3
• Polarizability: 29.132402 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.04
• LOG S: 1.18
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 6