2-acetyl-N,3,3,4-tetramethylpent-4-enamide

C11H19NO2 — CID 11816443

IUPAC2-acetyl-N,3,3,4-tetramethylpent-4-enamide
SMILESC=C(C)C(C)(C)C(C(C)=O)C(=O)NC
InChIInChI=1S/C11H19NO2/c1-7(2)11(4,5)9(8(3)13)10(14)12-6/h9H,1H2,2-6H3,(H,12,14)
InChIKeyMUUBOGTZPJNPAF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.54
Rot. Bonds4

About 2-acetyl-N,3,3,4-tetramethylpent-4-enamide

2-acetyl-N,3,3,4-tetramethylpent-4-enamide (PubChem CID 11816443) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-acetyl-N,3,3,4-tetramethylpent-4-enamide.

Molecular Properties

Compound Name2-acetyl-N,3,3,4-tetramethylpent-4-enamide
PubChem CID11816443
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-acetyl-N,3,3,4-tetramethylpent-4-enamide
SMILESC=C(C)C(C)(C)C(C(C)=O)C(=O)NC
InChIInChI=1S/C11H19NO2/c1-7(2)11(4,5)9(8(3)13)10(14)12-6/h9H,1H2,2-6H3,(H,12,14)
InChIKeyMUUBOGTZPJNPAF-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]azanium chloride
CID 10654979
1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
CID 101061255
(2R)-2-chloro-N-methyl-3-oxobutanamide
CID 6999875
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
(3R,4S)-3,4-dihydroxy-5-(methylamino)hex-5-en-2-one
CID 58181403
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
CID 59866873
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
CID 170131875
2-(N-hydroxy-C-methylsulfonylcarbonimidoyl)-N,3,3-trimethylbutanamide
CID 152749693
(2S)-N,2,4,4-tetramethylpentanamide
CID 58247049
3,5,5,6-tetramethyl-4-methylideneheptan-2-one
CID 141091674

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N,3,3,4-tetramethylpent-4-enamide?
The IUPAC name of 2-acetyl-N,3,3,4-tetramethylpent-4-enamide (CID 11816443) is 2-acetyl-N,3,3,4-tetramethylpent-4-enamide.
What is the SMILES notation for 2-acetyl-N,3,3,4-tetramethylpent-4-enamide?
The canonical SMILES for 2-acetyl-N,3,3,4-tetramethylpent-4-enamide is C=C(C)C(C)(C)C(C(C)=O)C(=O)NC.
What is the InChIKey of 2-acetyl-N,3,3,4-tetramethylpent-4-enamide?
The InChIKey is MUUBOGTZPJNPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)11(4,5)9(8(3)13)10(14)12-6/h9H,1H2,2-6H3,(H,12,14).
What are the key properties of 2-acetyl-N,3,3,4-tetramethylpent-4-enamide?
2-acetyl-N,3,3,4-tetramethylpent-4-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N,3,3,4-tetramethylpent-4-enamide is sourced from PubChem (CID 11816443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).