N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide

C18H26N2O2 — CID 113169098

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)N1CCCCCC1)C(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-16-10-6-7-11-17(16)20(15(2)21)14-18(22)19-12-8-4-5-9-13-19/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3
InChIKeyYYBCZIATBIOUHZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide (PubChem CID 113169098) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
PubChem CID113169098
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)N1CCCCCC1)C(C)=O
InChIInChI=1S/C18H26N2O2/c1-3-16-10-6-7-11-17(16)20(15(2)21)14-18(22)19-12-8-4-5-9-13-19/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3
InChIKeyYYBCZIATBIOUHZ-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113169422
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide (CID 113169098) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(CC(=O)N1CCCCCC1)C(C)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is YYBCZIATBIOUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-16-10-6-7-11-17(16)20(15(2)21)14-18(22)19-12-8-4-5-9-13-19/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 113169098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).