2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide

C12H16ClNO3 — CID 2276597

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C12H16ClNO3/c1-9-7-10(13)3-4-11(9)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyWCZKZRAYZIIYGU-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 2276597) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID2276597
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C12H16ClNO3/c1-9-7-10(13)3-4-11(9)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyWCZKZRAYZIIYGU-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.79
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-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218208
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78931610
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 62072700

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide (CID 2276597) is 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is WCZKZRAYZIIYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-9-7-10(13)3-4-11(9)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2276597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).