N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide

C16H22N2O2 — CID 2548692

IUPACN-(4-acetylphenyl)-2-(azepan-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-13(19)14-6-8-15(9-7-14)17-16(20)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)
InChIKeyKCTUHEKXLBQVKF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds4

About N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide

N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide (PubChem CID 2548692) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(azepan-1-yl)acetamide
PubChem CID2548692
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(4-acetylphenyl)-2-(azepan-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-13(19)14-6-8-15(9-7-14)17-16(20)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)
InChIKeyKCTUHEKXLBQVKF-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide (CID 2548692) is N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide?
The InChIKey is KCTUHEKXLBQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)14-6-8-15(9-7-14)17-16(20)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide?
N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(azepan-1-yl)acetamide is sourced from PubChem (CID 2548692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).