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

• ChemBase ID: 219601
• Molecular Formular: C24H33NO6
• Molecular Mass: 431.52192
• Monoisotopic Mass: 431.23078778
• SMILES: c12c(oc(=O)c(c1C)C)c1c(cc2OCC(=O)NCCCOC(C)C)OC(CC1)(C)C
• Canonical SMILES: O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)c(c(=O)o2)C)NCCCOC(C)C
• InChI: InChI=1S/C24H33NO6/c1-14(2)28-11-7-10-25-20(26)13-29-19-12-18-17(8-9-24(5,6)31-18)22-21(19)15(3)16(4)23(27)30-22/h12,14H,7-11,13H2,1-6H3,(H,25,26)
• InChIKey: KDHAVEZFAXSEIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275511
• PubChem CID: 4868920

CALCULATED PROPERTIES

• Acid pKa: 14.941944
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.025655
• LogD (pH = 7.4): 3.025655
• Log P: 3.025655
• Molar Refractivity: 117.9615 cm^3
• Polarizability: 45.792526 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds