2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate

C18H20ClNO3 — CID 5095007

IUPAC2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
SMILESCc1cc(OCCOC(=O)Nc2c(C)cccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-12-5-4-6-13(2)17(12)20-18(21)23-10-9-22-15-7-8-16(19)14(3)11-15/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyGEPPJYWCSGBRQS-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate

2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate (PubChem CID 5095007) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
PubChem CID5095007
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
SMILESCc1cc(OCCOC(=O)Nc2c(C)cccc2C)ccc1Cl
InChIInChI=1S/C18H20ClNO3/c1-12-5-4-6-13(2)17(12)20-18(21)23-10-9-22-15-7-8-16(19)14(3)11-15/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyGEPPJYWCSGBRQS-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199775
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199851
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
CID 138398477
2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
CID 30036
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
4-[2-(4-chloro-3-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20988326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate (CID 5095007) is 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate is Cc1cc(OCCOC(=O)Nc2c(C)cccc2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate?
The InChIKey is GEPPJYWCSGBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-5-4-6-13(2)17(12)20-18(21)23-10-9-22-15-7-8-16(19)14(3)11-15/h4-8,11H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate?
2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate has a molecular weight of 333.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 5095007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).