2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide

C23H29N3O2 — CID 54841489

IUPAC2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-9-7-10-18(2)22(17)25-21(27)16-24-20-12-8-11-19(15-20)23(28)26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27)
InChIKeyZYVXSADYFALOGA-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.37
Rot. Bonds5

About 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide

2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 54841489) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID54841489
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-9-7-10-18(2)22(17)25-21(27)16-24-20-12-8-11-19(15-20)23(28)26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27)
InChIKeyZYVXSADYFALOGA-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811806
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide (CID 54841489) is 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZYVXSADYFALOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-9-7-10-18(2)22(17)25-21(27)16-24-20-12-8-11-19(15-20)23(28)26-13-5-3-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide?
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 54841489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).