N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

• ChemBase ID: 193859
• Molecular Formular: C20H27NO3
• Molecular Mass: 329.43328
• Monoisotopic Mass: 329.19909373
• SMILES: N(C(=O)C)(Cc1occc1)CCC(c1ccc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C20H27NO3/c1-15(2)20(17-7-9-18(23-4)10-8-17)11-12-21(16(3)22)14-19-6-5-13-24-19/h5-10,13,15,20H,11-12,14H2,1-4H3
• InChIKey: PNOJTWNKYMZRDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-[3-(4-methoxyphenyl)-4-methylpentyl]acetamide

Database IDs

• PubChem SID: 164249769
• PubChem CID: 3506505

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5204217
• LogD (pH = 7.4): 3.5204222
• Log P: 3.5204222
• Molar Refractivity: 95.3928 cm^3
• Polarizability: 37.080875 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds