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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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120172
4-[but-3-en-2-yl(methyl)amino]cyclohexan-1-one
CID 79120022
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-prop-2-enylpropanamide
CID 17034869
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
4-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclohexan-1-one
CID 79120030
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 56787482
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
4-[methyl(4-methylpentan-2-yl)amino]cyclohexan-1-one
CID 114762129
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-one
CID 114762043

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).