methyl N-(4-methoxyphenyl)carbamate

C9H11NO3 — CID 519003

IUPACmethyl N-(4-methoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C9H11NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyXULGIYKLMVSIEC-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.87
Rot. Bonds2

About methyl N-(4-methoxyphenyl)carbamate

methyl N-(4-methoxyphenyl)carbamate (PubChem CID 519003) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxyphenyl)carbamate
PubChem CID519003
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl N-(4-methoxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C9H11NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11)
InChIKeyXULGIYKLMVSIEC-UHFFFAOYSA-N
XLogP1.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(4-methoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of methyl N-(4-methoxyphenyl)carbamate (CID 519003) is methyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for methyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for methyl N-(4-methoxyphenyl)carbamate is COC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl N-(4-methoxyphenyl)carbamate?
The InChIKey is XULGIYKLMVSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11).
What are the key properties of methyl N-(4-methoxyphenyl)carbamate?
methyl N-(4-methoxyphenyl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 519003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).