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

• ChemBase ID: 194678
• Molecular Formular: C23H27NO4
• Molecular Mass: 381.46478
• Monoisotopic Mass: 381.19400835
• SMILES: C(=O)(N(Cc1occc1)CCC(c1ccc(cc1)OC)C(C)C)c1occc1
• Canonical SMILES: COc1ccc(cc1)C(C(C)C)CCN(C(=O)c1ccco1)Cc1ccco1
• InChI: InChI=1S/C23H27NO4/c1-17(2)21(18-8-10-19(26-3)11-9-18)12-13-24(16-20-6-4-14-27-20)23(25)22-7-5-15-28-22/h4-11,14-15,17,21H,12-13,16H2,1-3H3
• InChIKey: BREQNYGUYZKAHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250588
• PubChem CID: 4293208

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.434843
• LogD (pH = 7.4): 4.434843
• Log P: 4.434843
• Molar Refractivity: 108.4542 cm^3
• Polarizability: 41.489727 Å^3
• Polar Surface Area: 55.82 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds