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

• ChemBase ID: 214393
• Molecular Formular: C21H25NO5
• Molecular Mass: 371.4269
• Monoisotopic Mass: 371.17327291
• SMILES: c12c(c(cc(=O)o2)CC)c(cc2c1CCC(O2)(C)C)OCC(=O)NC1CC1
• Canonical SMILES: CCc1cc(=O)oc2c1c(OCC(=O)NC1CC1)cc1c2CCC(O1)(C)C
• InChI: InChI=1S/C21H25NO5/c1-4-12-9-18(24)26-20-14-7-8-21(2,3)27-15(14)10-16(19(12)20)25-11-17(23)22-13-5-6-13/h9-10,13H,4-8,11H2,1-3H3,(H,22,23)
• InChIKey: ZYUDDSCUGFXAKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270303
• PubChem CID: 4869942

CALCULATED PROPERTIES

• Acid pKa: 14.666986
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7538705
• LogD (pH = 7.4): 2.7538705
• Log P: 2.7538705
• Molar Refractivity: 100.3403 cm^3
• Polarizability: 38.848682 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds