methyl N-(2,2-dimethoxyethyl)-N-[(4-methoxyphenyl)methyl]carbamate

• ChemBase ID: 801371
• Molecular Formular: C14H21NO5
• Molecular Mass: 283.32024
• Monoisotopic Mass: 283.14197278
• SMILES: N(C(=O)OC)(Cc1ccc(cc1)OC)CC(OC)OC
• Canonical SMILES: COC(CN(C(=O)OC)Cc1ccc(cc1)OC)OC
• InChI: InChI=1S/C14H21NO5/c1-17-12-7-5-11(6-8-12)9-15(14(16)20-4)10-13(18-2)19-3/h5-8,13H,9-10H2,1-4H3
• InChIKey: KKHAWNHFSAUTLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-(2,2-dimethoxyethyl)-N-[(4-methoxyphenyl)methyl]carbamate
• IUPAC Traditional name: methyl N-(2,2-dimethoxyethyl)-N-[(4-methoxyphenyl)methyl]carbamate
• Synonyms: METHYL 2,2-DIMETHOXYETHYL(4-METHOXYBENZYL)CARBAMATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8350838
• LogD (pH = 7.4): 1.8350838
• Log P: 1.8350838
• Molar Refractivity: 73.7833 cm^3
• Polarizability: 29.06204 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%