2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H28N2O2 — CID 113169023

IUPAC2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCC1=CCCCC1)C(C)=O
InChIInChI=1S/C20H28N2O2/c1-3-18-11-7-8-12-19(18)22(16(2)23)15-20(24)21-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H,21,24)
InChIKeyBCPPOIXNMQXVHE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.61
Rot. Bonds7

About 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113169023) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113169023
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCC1=CCCCC1)C(C)=O
InChIInChI=1S/C20H28N2O2/c1-3-18-11-7-8-12-19(18)22(16(2)23)15-20(24)21-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H,21,24)
InChIKeyBCPPOIXNMQXVHE-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.61
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-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
2-(N-acetyl-2-ethylanilino)-N-(3-methylbutyl)acetamide
CID 113169089
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
3-(N-acetyl-2,6-difluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113135335
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 2175357
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113169023) is 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CCc1ccccc1N(CC(=O)NCCC1=CCCCC1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is BCPPOIXNMQXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-18-11-7-8-12-19(18)22(16(2)23)15-20(24)21-14-13-17-9-5-4-6-10-17/h7-9,11-12H,3-6,10,13-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113169023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).