N-(propan-2-yl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

• ChemBase ID: 211335
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)C
• InChI: InChI=1S/C20H23NO4/c1-10(2)21-19(22)7-6-14-12(4)16-8-15-11(3)13(5)24-17(15)9-18(16)25-20(14)23/h8-10H,6-7H2,1-5H3,(H,21,22)
• InChIKey: MODOOVJBTYLMSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-3-{2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide
• IUPAC Traditional name: N-isopropyl-3-{2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}propanamide

Database IDs

• PubChem SID: 164267245
• PubChem CID: 4838122

CALCULATED PROPERTIES

• Acid pKa: 15.075648
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.109422
• LogD (pH = 7.4): 3.1094227
• Log P: 3.109423
• Molar Refractivity: 95.9734 cm^3
• Polarizability: 37.69655 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds