2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate

C13H19NO3 — CID 79346636

IUPAC2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCCO)c(C)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(10(2)8-9)11(3)14-13(16)17-7-6-15/h4-5,8,11,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyBNXLNOQWDNDYIC-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds4

About 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate

2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate (PubChem CID 79346636) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
PubChem CID79346636
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
SMILESCc1ccc(C(C)NC(=O)OCCO)c(C)c1
InChIInChI=1S/C13H19NO3/c1-9-4-5-12(10(2)8-9)11(3)14-13(16)17-7-6-15/h4-5,8,11,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyBNXLNOQWDNDYIC-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 61067503
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybutanamide
CID 62472493
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017
methyl 2-[1-(2,4-dimethylphenyl)ethylamino]-4-methylpentanoate
CID 43689048
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate (CID 79346636) is 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate is Cc1ccc(C(C)NC(=O)OCCO)c(C)c1.
What is the InChIKey of 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
The InChIKey is BNXLNOQWDNDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-5-12(10(2)8-9)11(3)14-13(16)17-7-6-15/h4-5,8,11,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate?
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 79346636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).