4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C17H22N2O2 — CID 27666318

IUPAC4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(20)19-16-9-7-15(8-10-16)17(21)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyBCULQUOXYNPTQR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.27
Rot. Bonds5

About 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide

4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 27666318) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID27666318
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-13(20)19-16-9-7-15(8-10-16)17(21)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyBCULQUOXYNPTQR-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327670
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835848
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 110407414
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109052475
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 39083948
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327620

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 27666318) is 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is BCULQUOXYNPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(20)19-16-9-7-15(8-10-16)17(21)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 27666318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).