N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide

C18H24N2O3 — CID 113175452

IUPACN-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCCCCC2)C(C)=O)c1
InChIInChI=1S/C18H24N2O3/c1-14(21)16-8-7-9-17(12-16)20(15(2)22)13-18(23)19-10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyQSULHJFFYBTONI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.64
Rot. Bonds4

About N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide

N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide (PubChem CID 113175452) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
PubChem CID113175452
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCCCCC2)C(C)=O)c1
InChIInChI=1S/C18H24N2O3/c1-14(21)16-8-7-9-17(12-16)20(15(2)22)13-18(23)19-10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13H2,1-2H3
InChIKeyQSULHJFFYBTONI-UHFFFAOYSA-N
XLogP2.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]methanesulfonamide
CID 2222605
N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113175435
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
ethyl 4-[2-(N-acetyl-3-methoxycarbonylanilino)acetyl]piperazine-1-carboxylate
CID 113176246
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-cyclohexyl-2-(N,3-diacetylanilino)acetamide
CID 113175380
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide (CID 113175452) is N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide is CC(=O)c1cccc(N(CC(=O)N2CCCCCC2)C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide?
The InChIKey is QSULHJFFYBTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(21)16-8-7-9-17(12-16)20(15(2)22)13-18(23)19-10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide?
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113175452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).