2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide

C24H31N3O2 — CID 54841739

IUPAC2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-22(19-11-6-5-7-12-19)26-23(28)18-25-21-14-10-13-20(17-21)24(29)27-15-8-3-4-9-16-27/h5-7,10-14,17,22,25H,2-4,8-9,15-16,18H2,1H3,(H,26,28)
InChIKeyALPKDARYYBSWBL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.38
Rot. Bonds7

About 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide

2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide (PubChem CID 54841739) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
PubChem CID54841739
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-2-22(19-11-6-5-7-12-19)26-23(28)18-25-21-14-10-13-20(17-21)24(29)27-15-8-3-4-9-16-27/h5-7,10-14,17,22,25H,2-4,8-9,15-16,18H2,1H3,(H,26,28)
InChIKeyALPKDARYYBSWBL-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841093
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide (CID 54841739) is 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNc1cccc(C(=O)N2CCCCCC2)c1)c1ccccc1.
What is the InChIKey of 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide?
The InChIKey is ALPKDARYYBSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-22(19-11-6-5-7-12-19)26-23(28)18-25-21-14-10-13-20(17-21)24(29)27-15-8-3-4-9-16-27/h5-7,10-14,17,22,25H,2-4,8-9,15-16,18H2,1H3,(H,26,28).
What are the key properties of 2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide?
2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.38, 7 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-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54841739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).