N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide

C19H28N2O — CID 109014714

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-2-21(18-11-7-4-8-12-18)16-14-19(22)20-15-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,20,22)
InChIKeyXIRFDASQOBSVJB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.91
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide (PubChem CID 109014714) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
PubChem CID109014714
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-2-21(18-11-7-4-8-12-18)16-14-19(22)20-15-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,20,22)
InChIKeyXIRFDASQOBSVJB-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.91
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

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
CID 108942896
3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
3-(N-acetyl-2,6-difluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113135335
3-(3-acetyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113145310
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide (CID 109014714) is N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide is CCN(CCC(=O)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide?
The InChIKey is XIRFDASQOBSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-21(18-11-7-4-8-12-18)16-14-19(22)20-15-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide has a molecular weight of 300.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).