3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide

C23H28N2O2 — CID 109056693

IUPAC3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-13-17(2)21(18(3)14-16)24-22(26)19-9-8-10-20(15-19)23(27)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,26)
InChIKeyAHYAXIQBCYNLDJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.88
Rot. Bonds3

About 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide

3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 109056693) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID109056693
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-13-17(2)21(18(3)14-16)24-22(26)19-9-8-10-20(15-19)23(27)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,26)
InChIKeyAHYAXIQBCYNLDJ-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
2-(azepane-1-carbonyl)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
CID 109090735
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811806
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
5-(azepane-1-carbonyl)-N-(2-chloro-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 109107702

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide (CID 109056693) is 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(C(=O)N3CCCCCC3)c2)c(C)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is AHYAXIQBCYNLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-13-17(2)21(18(3)14-16)24-22(26)19-9-8-10-20(15-19)23(27)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,26).
What are the key properties of 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide?
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 109056693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).