4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide

C16H21NO2 — CID 94272860

IUPAC4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
SMILESC=CCNC(=O)CCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NO2/c1-5-8-17-15(19)7-6-14(18)16-12(3)9-11(2)10-13(16)4/h5,9-10H,1,6-8H2,2-4H3,(H,17,19)
InChIKeyRFVYFENVRDAOBZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.88
Rot. Bonds6

About 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide

4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide (PubChem CID 94272860) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
PubChem CID94272860
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
SMILESC=CCNC(=O)CCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NO2/c1-5-8-17-15(19)7-6-14(18)16-12(3)9-11(2)10-13(16)4/h5,9-10H,1,6-8H2,2-4H3,(H,17,19)
InChIKeyRFVYFENVRDAOBZ-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.88
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

1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
CID 113169920
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
4-cyano-4-(2,4-dimethylphenyl)-N-prop-2-enylbutanamide
CID 112516514
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
CID 108941280
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide (CID 94272860) is 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide is C=CCNC(=O)CCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is RFVYFENVRDAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-8-17-15(19)7-6-14(18)16-12(3)9-11(2)10-13(16)4/h5,9-10H,1,6-8H2,2-4H3,(H,17,19).
What are the key properties of 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide?
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 94272860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).