N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide

• ChemBase ID: 185380
• Molecular Formular: C30H37NO5
• Molecular Mass: 491.61848
• Monoisotopic Mass: 491.26717329
• SMILES: C(=O)(N(Cc1cc(c(cc1)OC)OC)CCC(C1CC(OCC1)(C)C)c1ccccc1)c1occc1
• Canonical SMILES: COc1ccc(cc1OC)CN(C(=O)c1ccco1)CCC(C1CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C30H37NO5/c1-30(2)20-24(15-18-36-30)25(23-9-6-5-7-10-23)14-16-31(29(32)27-11-8-17-35-27)21-22-12-13-26(33-3)28(19-22)34-4/h5-13,17,19,24-25H,14-16,18,20-21H2,1-4H3
• InChIKey: LEOCRMFSMDUZLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-3-phenylpropyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164241290
• PubChem CID: 3807782

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.091561
• LogD (pH = 7.4): 5.091561
• Log P: 5.091561
• Molar Refractivity: 141.1328 cm^3
• Polarizability: 54.472996 Å^3
• Polar Surface Area: 61.14 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds