methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate

C13H16N2O3 — CID 113095123

IUPACmethyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(c1ccc(NC(C)=O)cc1)C1CC1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-10-3-5-11(6-4-10)15(12-7-8-12)13(17)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,16)
InChIKeyCJWGXKPWDOKQIV-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.38
Rot. Bonds3

About methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate

methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate (PubChem CID 113095123) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
PubChem CID113095123
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
SMILESCOC(=O)N(c1ccc(NC(C)=O)cc1)C1CC1
InChIInChI=1S/C13H16N2O3/c1-9(16)14-10-3-5-11(6-4-10)15(12-7-8-12)13(17)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,16)
InChIKeyCJWGXKPWDOKQIV-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
CID 113095067
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065
N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
CID 113095079
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
CID 113095099
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 113095100
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-(4-acetamidophenyl)-2-methoxy-N-(oxan-4-yl)benzamide
CID 113095202

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate?
The IUPAC name of methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate (CID 113095123) is methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate.
What is the SMILES notation for methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate?
The canonical SMILES for methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate is COC(=O)N(c1ccc(NC(C)=O)cc1)C1CC1.
What is the InChIKey of methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate?
The InChIKey is CJWGXKPWDOKQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)14-10-3-5-11(6-4-10)15(12-7-8-12)13(17)18-2/h3-6,12H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate?
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate has a molecular weight of 248.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate is sourced from PubChem (CID 113095123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).