2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide

C23H29N3O2 — CID 54835196

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-2-26(21-10-6-5-7-11-21)22(27)18-24-20-14-12-19(13-15-20)23(28)25-16-8-3-4-9-17-25/h5-7,10-15,24H,2-4,8-9,16-18H2,1H3
InChIKeyGXWJWZFLHVBKFO-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds6

About 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide

2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide (PubChem CID 54835196) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
PubChem CID54835196
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-2-26(21-10-6-5-7-11-21)22(27)18-24-20-14-12-19(13-15-20)23(28)25-16-8-3-4-9-17-25/h5-7,10-15,24H,2-4,8-9,16-18H2,1H3
InChIKeyGXWJWZFLHVBKFO-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepane-1-carbonyl)anilino]-N,N-diethylacetamide
CID 54835140
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
N-butyl-4-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54832356
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838444
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-ethyl-4-(4-methylpiperidine-1-carbonyl)-N-phenylbenzamide
CID 109044926
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide (CID 54835196) is 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CNc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide?
The InChIKey is GXWJWZFLHVBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-26(21-10-6-5-7-11-21)22(27)18-24-20-14-12-19(13-15-20)23(28)25-16-8-3-4-9-17-25/h5-7,10-15,24H,2-4,8-9,16-18H2,1H3.
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 54835196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).