methyl N-(4-acetamidophenyl)carbamate

C10H12N2O3 — CID 750774

IUPACmethyl N-(4-acetamidophenyl)carbamate
SMILESCOC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H12N2O3/c1-7(13)11-8-3-5-9(6-4-8)12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyVUSGRTSQVXUPLK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.82
Rot. Bonds2

About methyl N-(4-acetamidophenyl)carbamate

methyl N-(4-acetamidophenyl)carbamate (PubChem CID 750774) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl N-(4-acetamidophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-acetamidophenyl)carbamate
PubChem CID750774
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl N-(4-acetamidophenyl)carbamate
SMILESCOC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H12N2O3/c1-7(13)11-8-3-5-9(6-4-8)12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyVUSGRTSQVXUPLK-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acetanilide
CID 904
Propham
CID 24685
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
Ethyl N-phenylcarbamate
CID 7591
Acetoacetanilide
CID 7592
Arsacetin
CID 95019
4-Nitroacetanilide
CID 7691
N-(4-Iodophenyl)acetamide
CID 12147
Oxanilide
CID 69288
2-Propanone O-((phenylamino)carbonyl)oxime
CID 17808

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-acetamidophenyl)carbamate?
The IUPAC name of methyl N-(4-acetamidophenyl)carbamate (CID 750774) is methyl N-(4-acetamidophenyl)carbamate.
What is the SMILES notation for methyl N-(4-acetamidophenyl)carbamate?
The canonical SMILES for methyl N-(4-acetamidophenyl)carbamate is COC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl N-(4-acetamidophenyl)carbamate?
The InChIKey is VUSGRTSQVXUPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)11-8-3-5-9(6-4-8)12-10(14)15-2/h3-6H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-(4-acetamidophenyl)carbamate?
methyl N-(4-acetamidophenyl)carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-acetamidophenyl)carbamate is sourced from PubChem (CID 750774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).