N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide

C12H15NO2 — CID 86134695

IUPACN-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
SMILESCC(O)=CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15)
InChIKeyUKXPZLWHDOQGBQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.70
Rot. Bonds2

About N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide

N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide (PubChem CID 86134695) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
PubChem CID86134695
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide
SMILESCC(O)=CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15)
InChIKeyUKXPZLWHDOQGBQ-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-(2,4-dimethylphenyl)-4,4-dimethylpent-2-enamide
CID 101271751
N-(2,4-dimethylphenyl)carbamoyl fluoride
CID 88833294
N-(2-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 30734863
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
disodium;(Z)-4-[2-methyl-4-[3-methyl-4-[[(Z)-3-oxidobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-en-2-olate
CID 54692963
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
N-(2-chloro-5-methylphenyl)-3-methylbut-2-enamide
CID 130162808
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide (CID 86134695) is N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide is CC(O)=CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide?
The InChIKey is UKXPZLWHDOQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide?
N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-hydroxybut-2-enamide is sourced from PubChem (CID 86134695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).