2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide

C16H24N2O — CID 8895959

IUPAC2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-13-7-8-15(11-14(13)2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyRCKVXJZKGKFJIV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 8895959) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID8895959
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)cc1C
InChIInChI=1S/C16H24N2O/c1-13-7-8-15(11-14(13)2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyRCKVXJZKGKFJIV-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9460285
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(3,4-dimethylphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80701697
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 8895959) is 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCCCC2)cc1C.
What is the InChIKey of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is RCKVXJZKGKFJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-7-8-15(11-14(13)2)17-16(19)12-18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8895959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).