N-cyclopropyl-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

• ChemBase ID: 214580
• Molecular Formular: C20H23NO5
• Molecular Mass: 357.40032
• Monoisotopic Mass: 357.15762284
• SMILES: c12c(c(cc(=O)o2)C)c(cc2c1CCC(O2)(C)C)OCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
• InChI: InChI=1S/C20H23NO5/c1-11-8-17(23)25-19-13-6-7-20(2,3)26-14(13)9-15(18(11)19)24-10-16(22)21-12-4-5-12/h8-9,12H,4-7,10H2,1-3H3,(H,21,22)
• InChIKey: JZICABCSNXQWEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-({4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

Database IDs

• PubChem SID: 164270490
• PubChem CID: 4967864

CALCULATED PROPERTIES

• Acid pKa: 14.609091
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3093019
• LogD (pH = 7.4): 2.3093019
• Log P: 2.3093019
• Molar Refractivity: 95.7393 cm^3
• Polarizability: 37.01354 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds