12-methyl-3-[(4-methylphenyl)methyl]-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one

• ChemBase ID: 200221
• Molecular Formular: C24H25NO3
• Molecular Mass: 375.4602
• Monoisotopic Mass: 375.18344367
• SMILES: c12c(c3c(c(=O)o1)CCCC3)cc1c(c2C)OCN(C1)Cc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CN1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCCC2
• InChI: InChI=1S/C24H25NO3/c1-15-7-9-17(10-8-15)12-25-13-18-11-21-19-5-3-4-6-20(19)24(26)28-23(21)16(2)22(18)27-14-25/h7-11H,3-6,12-14H2,1-2H3
• InChIKey: RZOGTNRWBNERTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-methyl-3-[(4-methylphenyl)methyl]-2,3,4,6,7,8,9,10-octahydro-1,11-dioxa-3-azatetraphen-10-one
• IUPAC Traditional name: 12-methyl-3-[(4-methylphenyl)methyl]-2,4,6,7,8,9-hexahydro-1,11-dioxa-3-azatetraphen-10-one

Database IDs

• PubChem SID: 164256131
• PubChem CID: 1757174

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2754188
• LogD (pH = 7.4): 5.37589
• Log P: 5.3773336
• Molar Refractivity: 110.1289 cm^3
• Polarizability: 42.456154 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds