N-butyl-2-(propan-2-yloxy)-N-(thiophen-3-ylmethyl)propanamide

• ChemBase ID: 576270
• Molecular Formular: C15H25NO2S
• Molecular Mass: 283.4295
• Monoisotopic Mass: 283.16060005
• SMILES: C(=O)(N(Cc1cscc1)CCCC)C(OC(C)C)C
• Canonical SMILES: CCCCN(C(=O)C(OC(C)C)C)Cc1cscc1
• InChI: InChI=1S/C15H25NO2S/c1-5-6-8-16(10-14-7-9-19-11-14)15(17)13(4)18-12(2)3/h7,9,11-13H,5-6,8,10H2,1-4H3
• InChIKey: KODJFAXTPXUXCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(propan-2-yloxy)-N-(thiophen-3-ylmethyl)propanamide
• IUPAC Traditional name: N-butyl-2-isopropoxy-N-(thiophen-3-ylmethyl)propanamide
• Synonyms: N-butyl-2-isopropoxy-N-(3-thienylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4139035
• LogD (pH = 7.4): 3.4139035
• Log P: 3.4139035
• Molar Refractivity: 79.966 cm^3
• Polarizability: 31.133377 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.47
• LOG S: -4.23
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8