methyl N-(2,4-dimethoxyphenyl)carbamate

C10H13NO4 — CID 844057

IUPACmethyl N-(2,4-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C10H13NO4/c1-13-7-4-5-8(9(6-7)14-2)11-10(12)15-3/h4-6H,1-3H3,(H,11,12)
InChIKeyGDRBZLZLABLCCG-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.88
Rot. Bonds3

About methyl N-(2,4-dimethoxyphenyl)carbamate

methyl N-(2,4-dimethoxyphenyl)carbamate (PubChem CID 844057) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl N-(2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,4-dimethoxyphenyl)carbamate
PubChem CID844057
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl N-(2,4-dimethoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C10H13NO4/c1-13-7-4-5-8(9(6-7)14-2)11-10(12)15-3/h4-6H,1-3H3,(H,11,12)
InChIKeyGDRBZLZLABLCCG-UHFFFAOYSA-N
XLogP1.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,4-dimethoxyphenyl)carbamate?
The IUPAC name of methyl N-(2,4-dimethoxyphenyl)carbamate (CID 844057) is methyl N-(2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for methyl N-(2,4-dimethoxyphenyl)carbamate is COC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of methyl N-(2,4-dimethoxyphenyl)carbamate?
The InChIKey is GDRBZLZLABLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-7-4-5-8(9(6-7)14-2)11-10(12)15-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of methyl N-(2,4-dimethoxyphenyl)carbamate?
methyl N-(2,4-dimethoxyphenyl)carbamate has a molecular weight of 211.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 844057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).