(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one

C14H19NO3 — CID 143411738

IUPAC(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
SMILESCC(C)=O.CCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C11H13NO2.C3H6O/c1-2-9-3-5-10(6-4-9)7-8-11(13)12-14;1-3(2)4/h3-8,14H,2H2,1H3,(H,12,13);1-2H3/b8-7+;
InChIKeyCNRRRMAQPABDMU-USRGLUTNSA-N
MW249.31 g/mol
LogP2.36
Rot. Bonds3

About (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one

(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one (PubChem CID 143411738) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
PubChem CID143411738
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
SMILESCC(C)=O.CCc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C11H13NO2.C3H6O/c1-2-9-3-5-10(6-4-9)7-8-11(13)12-14;1-3(2)4/h3-8,14H,2H2,1H3,(H,12,13);1-2H3/b8-7+;
InChIKeyCNRRRMAQPABDMU-USRGLUTNSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
CID 143411666
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
(2S)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]butanedioic acid
CID 112733129

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one (CID 143411738) is (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one is CC(C)=O.CCc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one?
The InChIKey is CNRRRMAQPABDMU-USRGLUTNSA-N. The full InChI is InChI=1S/C11H13NO2.C3H6O/c1-2-9-3-5-10(6-4-9)7-8-11(13)12-14;1-3(2)4/h3-8,14H,2H2,1H3,(H,12,13);1-2H3/b8-7+;.
What are the key properties of (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one?
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one is sourced from PubChem (CID 143411738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).