N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide

C19H26N2O3 — CID 113130850

IUPACN-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)c1ccc(N(CCC(=O)N2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H26N2O3/c1-15(22)17-7-9-18(10-8-17)21(16(2)23)14-11-19(24)20-12-5-3-4-6-13-20/h7-10H,3-6,11-14H2,1-2H3
InChIKeyWUXPSOBWTDJWOL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.03
Rot. Bonds5

About N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide

N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide (PubChem CID 113130850) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
PubChem CID113130850
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)c1ccc(N(CCC(=O)N2CCCCCC2)C(C)=O)cc1
InChIInChI=1S/C19H26N2O3/c1-15(22)17-7-9-18(10-8-17)21(16(2)23)14-11-19(24)20-12-5-3-4-6-13-20/h7-10H,3-6,11-14H2,1-2H3
InChIKeyWUXPSOBWTDJWOL-UHFFFAOYSA-N
XLogP3.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
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-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide (CID 113130850) is N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide is CC(=O)c1ccc(N(CCC(=O)N2CCCCCC2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide?
The InChIKey is WUXPSOBWTDJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-15(22)17-7-9-18(10-8-17)21(16(2)23)14-11-19(24)20-12-5-3-4-6-13-20/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide?
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113130850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).