N-[3-(furan-2-yl)-4-methylpentyl]-N-(furan-2-ylmethyl)propanamide

• ChemBase ID: 198261
• Molecular Formular: C18H25NO3
• Molecular Mass: 303.396
• Monoisotopic Mass: 303.18344367
• SMILES: N(C(=O)CC)(Cc1occc1)CCC(c1occc1)C(C)C
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccco1)C(C)C
• InChI: InChI=1S/C18H25NO3/c1-4-18(20)19(13-15-7-5-11-21-15)10-9-16(14(2)3)17-8-6-12-22-17/h5-8,11-12,14,16H,4,9-10,13H2,1-3H3
• InChIKey: FIZUPGJAHFQCFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254171
• PubChem CID: 3428911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3609216
• LogD (pH = 7.4): 3.360922
• Log P: 3.360922
• Molar Refractivity: 86.0244 cm^3
• Polarizability: 33.271027 Å^3
• Polar Surface Area: 46.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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