N-[3-(3-ethylphenoxy)propyl]-N-methyloxane-2-carboxamide

• ChemBase ID: 674455
• Molecular Formular: C18H27NO3
• Molecular Mass: 305.41188
• Monoisotopic Mass: 305.19909373
• SMILES: C(=O)(N(CCCOc1cc(ccc1)CC)C)C1OCCCC1
• Canonical SMILES: CCc1cccc(c1)OCCCN(C(=O)C1CCCCO1)C
• InChI: InChI=1S/C18H27NO3/c1-3-15-8-6-9-16(14-15)21-13-7-11-19(2)18(20)17-10-4-5-12-22-17/h6,8-9,14,17H,3-5,7,10-13H2,1-2H3
• InChIKey: XFKWRRCNVSSTFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-ethylphenoxy)propyl]-N-methyloxane-2-carboxamide
• IUPAC Traditional name: N-[3-(3-ethylphenoxy)propyl]-N-methyloxane-2-carboxamide
• Synonyms: N-[3-(3-ethylphenoxy)propyl]-N-methyltetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9672642
• LogD (pH = 7.4): 2.9672642
• Log P: 2.9672642
• Molar Refractivity: 87.6598 cm^3
• Polarizability: 34.19641 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 4.09
• LOG S: -4.92