N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-(oxan-2-ylmethyl)propanamide

• ChemBase ID: 862531
• Molecular Formular: C16H28N6O3
• Molecular Mass: 352.43192
• Monoisotopic Mass: 352.22228879
• SMILES: c1(n(nnn1)CCC(=O)N(CC1OCCCC1)C)CN1CCOCC1
• Canonical SMILES: O=C(N(CC1CCCCO1)C)CCn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C16H28N6O3/c1-20(12-14-4-2-3-9-25-14)16(23)5-6-22-15(17-18-19-22)13-21-7-10-24-11-8-21/h14H,2-13H2,1H3
• InChIKey: ODDDQPAJMBWSPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-(oxan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(oxan-2-ylmethyl)propanamide
• Synonyms: N-methyl-3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]-N-(tetrahydro-2H-pyran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.6843051
• LogD (pH = 7.4): -0.6333521
• Log P: -0.6326623
• Molar Refractivity: 105.7341 cm^3
• Polarizability: 35.75713 Å^3
• Polar Surface Area: 85.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 0.2
• LOG S: 0.59
• Polar Surface Area: 85.61 Å^2
• Rotatable Bonds: 7