4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide

C20H27NO2 — CID 19025273

IUPAC4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)NC(=O)C2=CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C20H27NO2/c1-13(2)15-5-9-17(10-6-15)19(22)21-20(23)18-11-7-16(8-12-18)14(3)4/h9,11,15-16H,1,3,5-8,10,12H2,2,4H3,(H,21,22,23)
InChIKeyYYSOOXFQPOUAOK-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.23
Rot. Bonds4

About 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide

4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide (PubChem CID 19025273) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide
PubChem CID19025273
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide
SMILESC=C(C)C1CC=C(C(=O)NC(=O)C2=CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C20H27NO2/c1-13(2)15-5-9-17(10-6-15)19(22)21-20(23)18-11-7-16(8-12-18)14(3)4/h9,11,15-16H,1,3,5-8,10,12H2,2,4H3,(H,21,22,23)
InChIKeyYYSOOXFQPOUAOK-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide with MolForge

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Related Compounds

3-Octadecylpyrrole-2,5-dione
CID 19810759
Cyclohexylmaleimide
CID 19810763
Tetrahydroisoquinoline-1,3-dione
CID 20478685
Octylmaleimide
CID 21880496
N-(2,2-dimethylpropanoyl)cyclohexene-1-carboxamide
CID 86059796
N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 132562388
(4S)-N-tert-butyl-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 134938911
5-methyl-N-(2-methylbutan-2-yl)-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxamide
CID 146167014
3-Methyl-4-(5,9,13-trimethyltetradecyl)-1H-pyrrole-2,5-dione
CID 558334
N-methyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10442283
4-prop-1-en-2-yl-N-propylcyclohexene-1-carboxamide
CID 10443013
3-Pentadecylpyrrole-2,5-dione
CID 15598201

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide?
The IUPAC name of 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide (CID 19025273) is 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide.
What is the SMILES notation for 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide?
The canonical SMILES for 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide is C=C(C)C1CC=C(C(=O)NC(=O)C2=CCC(C(=C)C)CC2)CC1.
What is the InChIKey of 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide?
The InChIKey is YYSOOXFQPOUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13(2)15-5-9-17(10-6-15)19(22)21-20(23)18-11-7-16(8-12-18)14(3)4/h9,11,15-16H,1,3,5-8,10,12H2,2,4H3,(H,21,22,23).
What are the key properties of 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide?
4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-N-(4-prop-1-en-2-ylcyclohexene-1-carbonyl)cyclohexene-1-carboxamide is sourced from PubChem (CID 19025273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).