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

C12H17NO2 — CID 110787753

IUPACmethyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyGWSWVTGINLLMJD-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds3

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

methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate (PubChem CID 110787753) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
PubChem CID110787753
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyGWSWVTGINLLMJD-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426788
methyl N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]carbamate
CID 115190728
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
2-(aminomethyl)-N-[2-(2,4-dimethylphenyl)ethyl]-3-methylbutanamide
CID 115187571
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
CID 115258819
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate (CID 110787753) is methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate is COC(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate?
The InChIKey is GWSWVTGINLLMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11(10(2)8-9)6-7-13-12(14)15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate?
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 110787753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).