ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate

C13H19NO2 — CID 110787279

IUPACethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-4-16-13(15)14-8-7-12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyRBRATLKBUGHRSL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds4

About ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate

ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate (PubChem CID 110787279) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
PubChem CID110787279
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO2/c1-4-16-13(15)14-8-7-12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyRBRATLKBUGHRSL-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
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ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
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propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
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1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
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2-amino-N-[2-(3,4-dimethylphenyl)ethyl]acetamide
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3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate (CID 110787279) is ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(C)c(C)c1.
What is the InChIKey of ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate?
The InChIKey is RBRATLKBUGHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-13(15)14-8-7-12-6-5-10(2)11(3)9-12/h5-6,9H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate?
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 110787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).