2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide

C17H23ClN2O3 — CID 4591298

IUPAC2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)N2CCCCCC2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-13-6-7-14(10-15(13)18)19-16(21)11-23-12-17(22)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyQGFMWHUOOYKJCV-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.01
Rot. Bonds5

About 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide

2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 4591298) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID4591298
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCC(=O)N2CCCCCC2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-13-6-7-14(10-15(13)18)19-16(21)11-23-12-17(22)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChIKeyQGFMWHUOOYKJCV-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(2,3-dichlorophenyl)-2-(2-oxo-2-piperidin-1-ylethoxy)acetamide
CID 4002670
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide (CID 4591298) is 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COCC(=O)N2CCCCCC2)cc1Cl.
What is the InChIKey of 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is QGFMWHUOOYKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-13-6-7-14(10-15(13)18)19-16(21)11-23-12-17(22)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide?
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 4591298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).