2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide

C17H24N2O2 — CID 120963460

IUPAC2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
SMILESCCc1ccccc1C(=O)N1CCCC(CC(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-2-14-7-3-4-8-15(14)17(21)19-10-5-6-13(9-11-19)12-16(18)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,18,20)
InChIKeyVFBQKIRWPHZKFA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds4

About 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide

2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide (PubChem CID 120963460) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
PubChem CID120963460
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide
SMILESCCc1ccccc1C(=O)N1CCCC(CC(N)=O)CC1
InChIInChI=1S/C17H24N2O2/c1-2-14-7-3-4-8-15(14)17(21)19-10-5-6-13(9-11-19)12-16(18)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,18,20)
InChIKeyVFBQKIRWPHZKFA-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387
2-[(4S)-1-(7-fluoroquinoxaline-6-carbonyl)azepan-4-yl]acetamide
CID 129489636
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 82701909
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816
methyl 2-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]benzoate
CID 82957081
4-[1-(2-ethylbenzoyl)pyrrolidin-3-yl]benzoic acid
CID 56915433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide?
The IUPAC name of 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide (CID 120963460) is 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide is CCc1ccccc1C(=O)N1CCCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide?
The InChIKey is VFBQKIRWPHZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-14-7-3-4-8-15(14)17(21)19-10-5-6-13(9-11-19)12-16(18)20/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,18,20).
What are the key properties of 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide?
2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbenzoyl)azepan-4-yl]acetamide is sourced from PubChem (CID 120963460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).