N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide

C20H28N2O2 — CID 108942896

IUPACN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28N2O2/c1-2-22(16-18-11-7-4-8-12-18)20(24)15-19(23)21-14-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,21,23)
InChIKeyCRRVCJQZAWZESH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.43
Rot. Bonds8

About N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide (PubChem CID 108942896) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
PubChem CID108942896
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H28N2O2/c1-2-22(16-18-11-7-4-8-12-18)20(24)15-19(23)21-14-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,21,23)
InChIKeyCRRVCJQZAWZESH-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
CID 25246872
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
N-[(4-chlorophenyl)methyl]-N-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133214561

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide (CID 108942896) is N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide?
The InChIKey is CRRVCJQZAWZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-22(16-18-11-7-4-8-12-18)20(24)15-19(23)21-14-13-17-9-5-3-6-10-17/h4,7-9,11-12H,2-3,5-6,10,13-16H2,1H3,(H,21,23).
What are the key properties of N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide?
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide has a molecular weight of 328.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-N'-ethylpropanediamide is sourced from PubChem (CID 108942896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).