(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide

C21H22N2O3 — CID 141249488

IUPAC(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc([C@@H]2CCCN2CC(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O3/c24-20(18-5-2-1-3-6-18)15-23-14-4-7-19(23)17-11-8-16(9-12-17)10-13-21(25)22-26/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,25)/b13-10+/t19-/m0/s1
InChIKeyGOQWSWMYSLZRBD-QHSLDKKCSA-N
MW350.42 g/mol
LogP3.22
Rot. Bonds6

About (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide (PubChem CID 141249488) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
PubChem CID141249488
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc([C@@H]2CCCN2CC(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O3/c24-20(18-5-2-1-3-6-18)15-23-14-4-7-19(23)17-11-8-16(9-12-17)10-13-21(25)22-26/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,25)/b13-10+/t19-/m0/s1
InChIKeyGOQWSWMYSLZRBD-QHSLDKKCSA-N
XLogP3.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-[4-[1-(cyclobutylmethyl)pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 87290698
N-hydroxy-3-[4-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74959589
N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 76728695
3-[4-[1-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 76728706
N-hydroxy-3-[4-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960087
(E)-N-hydroxy-3-[4-[1-[2-(2-methyl-3H-inden-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 58367591
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 18423529
N-hydroxy-3-[4-[(2S)-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 91316059
(E)-N-hydroxy-3-[4-[1-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 87290634
N-hydroxy-3-[4-[1-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 74960084
3-[4-[(2S)-1-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91470771
3-[4-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 91597326

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide (CID 141249488) is (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc([C@@H]2CCCN2CC(=O)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide?
The InChIKey is GOQWSWMYSLZRBD-QHSLDKKCSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(18-5-2-1-3-6-18)15-23-14-4-7-19(23)17-11-8-16(9-12-17)10-13-21(25)22-26/h1-3,5-6,8-13,19,26H,4,7,14-15H2,(H,22,25)/b13-10+/t19-/m0/s1.
What are the key properties of (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide has a molecular weight of 350.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(2S)-1-phenacylpyrrolidin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 141249488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).