N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-2-(1H-1,2,3,4-tetrazol-5-yl)acetamide

• ChemBase ID: 765732
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n1n[nH]c(n1)CC(=O)N(CC1CC1)CCC1=CCCCC1
• Canonical SMILES: O=C(N(CC1CC1)CCC1=CCCCC1)Cc1nnn[nH]1
• InChI: InChI=1S/C15H23N5O/c21-15(10-14-16-18-19-17-14)20(11-13-6-7-13)9-8-12-4-2-1-3-5-12/h4,13H,1-3,5-11H2,(H,16,17,18,19)
• InChIKey: SZRULBUFQJBJME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-2-(1H-1,2,3,4-tetrazol-5-yl)acetamide
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-(cyclopropylmethyl)-2-(1H-1,2,3,4-tetrazol-5-yl)acetamide
• Synonyms: N-[2-(1-cyclohexen-1-yl)ethyl]-N-(cyclopropylmethyl)-2-(1H-tetrazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.250312
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.62385595
• LogD (pH = 7.4): 0.14098881
• Log P: 1.7406343
• Molar Refractivity: 83.934 cm^3
• Polarizability: 30.699873 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.39
• LOG S: -2.95
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 7