2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide

C13H22N2O2 — CID 79120428

IUPAC2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-9-14-13(17)10(2)15(3)11-5-7-12(16)8-6-11/h4,10-11H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyRPQPVAOVOQOYLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.12
Rot. Bonds5

About 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide

2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide (PubChem CID 79120428) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide
PubChem CID79120428
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(C)C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-9-14-13(17)10(2)15(3)11-5-7-12(16)8-6-11/h4,10-11H,1,5-9H2,2-3H3,(H,14,17)
InChIKeyRPQPVAOVOQOYLX-UHFFFAOYSA-N
XLogP1.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide (CID 79120428) is 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(C)C1CCC(=O)CC1.
What is the InChIKey of 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is RPQPVAOVOQOYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-9-14-13(17)10(2)15(3)11-5-7-12(16)8-6-11/h4,10-11H,1,5-9H2,2-3H3,(H,14,17).
What are the key properties of 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide?
2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxocyclohexyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 79120428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).