2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide

C13H24N2O — CID 115903241

IUPAC2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)10-15-11(2)12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16)
InChIKeyCWQHYBJAIBPOGZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds6

About 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide

2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide (PubChem CID 115903241) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
PubChem CID115903241
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-3-9-14-13(16)10-15-11(2)12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16)
InChIKeyCWQHYBJAIBPOGZ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-methoxyethyl)acetamide
CID 81392388
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide (CID 115903241) is 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide?
The InChIKey is CWQHYBJAIBPOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-14-13(16)10-15-11(2)12-7-5-4-6-8-12/h3,11-12,15H,1,4-10H2,2H3,(H,14,16).
What are the key properties of 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide?
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide has a molecular weight of 224.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 115903241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).