ethyl N-[2-(4-methylphenyl)ethyl]carbamate

C12H17NO2 — CID 22253656

IUPACethyl N-[2-(4-methylphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)13-9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyAKRJHXWPMSYODJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds4

About ethyl N-[2-(4-methylphenyl)ethyl]carbamate

ethyl N-[2-(4-methylphenyl)ethyl]carbamate (PubChem CID 22253656) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl N-[2-(4-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methylphenyl)ethyl]carbamate
PubChem CID22253656
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl N-[2-(4-methylphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)13-9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyAKRJHXWPMSYODJ-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl N-[2-(4-methylphenyl)ethyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
ethyl N-[2-(2-oxo-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 71398963
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methylphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methylphenyl)ethyl]carbamate (CID 22253656) is ethyl N-[2-(4-methylphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methylphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methylphenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-(4-methylphenyl)ethyl]carbamate?
The InChIKey is AKRJHXWPMSYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)13-9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[2-(4-methylphenyl)ethyl]carbamate?
ethyl N-[2-(4-methylphenyl)ethyl]carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 22253656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).