N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide

C16H22N2O2 — CID 113167153

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKeyZIHHTSASAVMNNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds3

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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide (PubChem CID 113167153) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
PubChem CID113167153
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h4-6,9-10H,2-3,7-8,11-13H2,1H3
InChIKeyZIHHTSASAVMNNL-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide (CID 113167153) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide is CC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide?
The InChIKey is ZIHHTSASAVMNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-14(19)18(15-9-5-4-6-10-15)13-16(20)17-11-7-2-3-8-12-17/h4-6,9-10H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 3 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-phenylacetamide is sourced from PubChem (CID 113167153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).