N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide

C19H26N2O2 — CID 108942962

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-15-8-10-17(11-9-15)21-19(23)14-18(22)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyXYHOXRGXGJKYOP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide (PubChem CID 108942962) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
PubChem CID108942962
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-2-15-8-10-17(11-9-15)21-19(23)14-18(22)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyXYHOXRGXGJKYOP-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
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-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
methyl 4-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate
CID 726367
2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-(4-ethylphenyl)acetamide
CID 113149168
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108943052
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2581525
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide (CID 108942962) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide?
The InChIKey is XYHOXRGXGJKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-15-8-10-17(11-9-15)21-19(23)14-18(22)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide has a molecular weight of 314.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide is sourced from PubChem (CID 108942962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).