N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide

C17H24N2O3 — CID 121147120

IUPACN-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(C2CCCCN(C(=O)CNC(C)=O)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-13(20)18-11-17(21)19-10-4-3-5-15(12-19)14-6-8-16(22-2)9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyKFGBSKBXYAKLLW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.93
Rot. Bonds4

About N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide

N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide (PubChem CID 121147120) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
PubChem CID121147120
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(C2CCCCN(C(=O)CNC(C)=O)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-13(20)18-11-17(21)19-10-4-3-5-15(12-19)14-6-8-16(22-2)9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyKFGBSKBXYAKLLW-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-[3-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 121146937
2-cyclopentyl-N-[2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95351155
3-(4-methoxyphenyl)-N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142828
3-(4-methoxyphenyl)-N-pentan-3-ylazepane-1-carboxamide
CID 121147192
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 90608786
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
2-(2-methoxyphenyl)-1-[3-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 121147128
N-tert-butyl-3-(4-methoxyphenyl)azepane-1-carboxamide
CID 121147168

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide (CID 121147120) is N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide is COc1ccc(C2CCCCN(C(=O)CNC(C)=O)C2)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide?
The InChIKey is KFGBSKBXYAKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)18-11-17(21)19-10-4-3-5-15(12-19)14-6-8-16(22-2)9-7-14/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 121147120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).