N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)-1-phenylformamido]ethyl}benzamide

• ChemBase ID: 220577
• Molecular Formular: C30H40N2O4
• Molecular Mass: 492.6496
• Monoisotopic Mass: 492.29880777
• SMILES: C(=O)(N(C1CC(OCC1)(C)C)CCN(C(=O)c1ccccc1)C1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: O=C(N(C1CCOC(C1)(C)C)CCN(C(=O)c1ccccc1)C1CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C30H40N2O4/c1-29(2)21-25(15-19-35-29)31(27(33)23-11-7-5-8-12-23)17-18-32(26-16-20-36-30(3,4)22-26)28(34)24-13-9-6-10-14-24/h5-14,25-26H,15-22H2,1-4H3
• InChIKey: FWHLAGJRGFLYKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)-1-phenylformamido]ethyl}benzamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-N-{2-[N-(2,2-dimethyloxan-4-yl)-1-phenylformamido]ethyl}benzamide

Database IDs

• PubChem SID: 164276487
• PubChem CID: 42648619

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6876214
• LogD (pH = 7.4): 3.687627
• Log P: 3.687627
• Molar Refractivity: 142.9556 cm^3
• Polarizability: 54.977894 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds