2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H28N2O2 — CID 113168247

IUPAC2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H28N2O2/c1-15-9-10-19(13-16(15)2)22(17(3)23)14-20(24)21-12-11-18-7-5-4-6-8-18/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCPTRDCWGNUQFMR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.66
Rot. Bonds6

About 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113168247) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113168247
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C20H28N2O2/c1-15-9-10-19(13-16(15)2)22(17(3)23)14-20(24)21-12-11-18-7-5-4-6-8-18/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCPTRDCWGNUQFMR-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113174030
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113134059
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108943043
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
2-(N-acetyl-3,4-dimethylanilino)-N-(3-phenylpropyl)acetamide
CID 113168307

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113168247) is 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCC1=CCCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CPTRDCWGNUQFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-9-10-19(13-16(15)2)22(17(3)23)14-20(24)21-12-11-18-7-5-4-6-8-18/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113168247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).