2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate

C12H17NO3 — CID 79349510

IUPAC2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)OCCO)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(10(2)8-9)13(3)12(15)16-7-6-14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyGFUZUWFYCDYSTD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.87
Rot. Bonds3

About 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate

2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate (PubChem CID 79349510) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
PubChem CID79349510
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
SMILESCc1ccc(N(C)C(=O)OCCO)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-4-5-11(10(2)8-9)13(3)12(15)16-7-6-14/h4-5,8,14H,6-7H2,1-3H3
InChIKeyGFUZUWFYCDYSTD-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-hydroxyethyl N-methyl-N-phenylcarbamate
CID 79346039
[amino-(N,2,4-trimethylanilino)methylidene]urea
CID 57266541
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
propan-2-yl 2-(N,2,4-trimethylanilino)acetate
CID 60967713
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate?
The IUPAC name of 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate (CID 79349510) is 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate is Cc1ccc(N(C)C(=O)OCCO)c(C)c1.
What is the InChIKey of 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate?
The InChIKey is GFUZUWFYCDYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-5-11(10(2)8-9)13(3)12(15)16-7-6-14/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate?
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate is sourced from PubChem (CID 79349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).