2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C23H33N3O2 — CID 54834873

IUPAC2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H33N3O2/c27-22(24-15-14-19-8-4-3-5-9-19)18-25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,25H,1-7,9,14-18H2,(H,24,27)
InChIKeyLMKSZEMDYWADGI-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.12
Rot. Bonds7

About 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 54834873) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID54834873
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C23H33N3O2/c27-22(24-15-14-19-8-4-3-5-9-19)18-25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,25H,1-7,9,14-18H2,(H,24,27)
InChIKeyLMKSZEMDYWADGI-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815339
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31671944
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835848
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841382
2-[4-(azepane-1-carbonyl)anilino]-N-(2-methoxyethyl)acetamide
CID 54835172
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044848
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-hexadecyl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835268
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 54834873) is 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(CNc1ccc(C(=O)N2CCCCCC2)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is LMKSZEMDYWADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(24-15-14-19-8-4-3-5-9-19)18-25-21-12-10-20(11-13-21)23(28)26-16-6-1-2-7-17-26/h8,10-13,25H,1-7,9,14-18H2,(H,24,27).
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 54834873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).