2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide

C16H22N2O2 — CID 113169920

IUPAC2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-7-17-15(20)10-18(14(5)19)16-12(3)8-11(2)9-13(16)4/h6,8-9H,1,7,10H2,2-5H3,(H,17,20)
InChIKeyFHUCFTCTEJVEIB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.27
Rot. Bonds5

About 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide

2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide (PubChem CID 113169920) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
PubChem CID113169920
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H22N2O2/c1-6-7-17-15(20)10-18(14(5)19)16-12(3)8-11(2)9-13(16)4/h6,8-9H,1,7,10H2,2-5H3,(H,17,20)
InChIKeyFHUCFTCTEJVEIB-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.27
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

2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
2-(N-acetyl-2,4,6-trimethylanilino)-N-(4-methylphenyl)acetamide
CID 113170003
2-(N-acetyl-2,4,6-trimethylanilino)-N-tert-butylacetamide
CID 113169988
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
2-(N-acetyl-2,4,6-trimethylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113170075
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-prop-2-enylacetamide
CID 113175103
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
CID 113180210
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide (CID 113169920) is 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide?
The InChIKey is FHUCFTCTEJVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-7-17-15(20)10-18(14(5)19)16-12(3)8-11(2)9-13(16)4/h6,8-9H,1,7,10H2,2-5H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113169920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).