N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide

C14H17NO2 — CID 11831267

IUPACN-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
SMILESCC(=O)c1ccccc1N(C)C(=O)C=C(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)9-14(17)15(4)13-8-6-5-7-12(13)11(3)16/h5-9H,1-4H3
InChIKeyAFRQTSARTAXRNR-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.82
Rot. Bonds3

About N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide

N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide (PubChem CID 11831267) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
PubChem CID11831267
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(2-acetylphenyl)-N,3-dimethylbut-2-enamide
SMILESCC(=O)c1ccccc1N(C)C(=O)C=C(C)C
InChIInChI=1S/C14H17NO2/c1-10(2)9-14(17)15(4)13-8-6-5-7-12(13)11(3)16/h5-9H,1-4H3
InChIKeyAFRQTSARTAXRNR-UHFFFAOYSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[methyl-[(Z)-prop-1-enyl]amino]phenyl]ethanone
CID 142814398
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
(2-acetylphenyl) 3-methylbut-2-enoate
CID 86069754
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide?
The IUPAC name of N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide (CID 11831267) is N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide.
What is the SMILES notation for N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide?
The canonical SMILES for N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide is CC(=O)c1ccccc1N(C)C(=O)C=C(C)C.
What is the InChIKey of N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide?
The InChIKey is AFRQTSARTAXRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)9-14(17)15(4)13-8-6-5-7-12(13)11(3)16/h5-9H,1-4H3.
What are the key properties of N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide?
N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide has a molecular weight of 231.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-N,3-dimethylbut-2-enamide is sourced from PubChem (CID 11831267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).