methyl N-benzyl-N-methylcarbamate

C10H13NO2 — CID 11008509

IUPACmethyl N-benzyl-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(10(12)13-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyPXEXCTZPRFTKBZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.88
Rot. Bonds2

About methyl N-benzyl-N-methylcarbamate

methyl N-benzyl-N-methylcarbamate (PubChem CID 11008509) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-benzyl-N-methylcarbamate
PubChem CID11008509
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl N-benzyl-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C10H13NO2/c1-11(10(12)13-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyPXEXCTZPRFTKBZ-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-benzyl-N-methylcarbamate?
The IUPAC name of methyl N-benzyl-N-methylcarbamate (CID 11008509) is methyl N-benzyl-N-methylcarbamate.
What is the SMILES notation for methyl N-benzyl-N-methylcarbamate?
The canonical SMILES for methyl N-benzyl-N-methylcarbamate is COC(=O)N(C)Cc1ccccc1.
What is the InChIKey of methyl N-benzyl-N-methylcarbamate?
The InChIKey is PXEXCTZPRFTKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(10(12)13-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of methyl N-benzyl-N-methylcarbamate?
methyl N-benzyl-N-methylcarbamate has a molecular weight of 179.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzyl-N-methylcarbamate is sourced from PubChem (CID 11008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).