[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate

C14H19NO3 — CID 138964366

IUPAC[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(17)18-10-13(16)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyLKMAASHFOCGIHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.66
Rot. Bonds5

About [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate

[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate (PubChem CID 138964366) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
PubChem CID138964366
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(5-2)14(17)18-10-13(16)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKeyLKMAASHFOCGIHT-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate (CID 138964366) is [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate is CCN(CC)C(=O)OCC(=O)c1ccc(C)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate?
The InChIKey is LKMAASHFOCGIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(5-2)14(17)18-10-13(16)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate?
[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate has a molecular weight of 249.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate is sourced from PubChem (CID 138964366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).