2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide

C13H22N2O2 — CID 84572779

IUPAC2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
SMILESC=CCN(CC(=O)NC1CCCCC1)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-9-15(11(2)16)10-13(17)14-12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H,14,17)
InChIKeyLZKMGRGGNZYKIT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds5

About 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide

2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide (PubChem CID 84572779) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
PubChem CID84572779
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
SMILESC=CCN(CC(=O)NC1CCCCC1)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-9-15(11(2)16)10-13(17)14-12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H,14,17)
InChIKeyLZKMGRGGNZYKIT-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]piperidine-1-carboxylate
CID 113158536
2-[[2-(cycloheptylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276691
N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 1442233
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
2-[acetyl(2-methoxyethyl)amino]-N-cyclohexylacetamide
CID 113159800
N-cyclopentyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423369
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
CID 113160065
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide (CID 84572779) is 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide is C=CCN(CC(=O)NC1CCCCC1)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide?
The InChIKey is LZKMGRGGNZYKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-9-15(11(2)16)10-13(17)14-12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H,14,17).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide?
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide is sourced from PubChem (CID 84572779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).