N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide

C15H18N2O3 — CID 11460011

IUPACN-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(CCc2ccccc2)C1=O)NO
InChIInChI=1S/C15H18N2O3/c18-14(16-20)7-6-13-9-11-17(15(13)19)10-8-12-4-2-1-3-5-12/h1-5,9,20H,6-8,10-11H2,(H,16,18)
InChIKeyNMBBNWZQBOQDMK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds6

About N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide

N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide (PubChem CID 11460011) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
PubChem CID11460011
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide
SMILESO=C(CCC1=CCN(CCc2ccccc2)C1=O)NO
InChIInChI=1S/C15H18N2O3/c18-14(16-20)7-6-13-9-11-17(15(13)19)10-8-12-4-2-1-3-5-12/h1-5,9,20H,6-8,10-11H2,(H,16,18)
InChIKeyNMBBNWZQBOQDMK-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Hydroxycarbamoyl-hexyl)-benzamide
CID 9965141
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CID 16114635
(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
CID 163183792
N-hydroxy-6-[[(E)-5-phenylpent-4-enoyl]amino]hexanamide
CID 9857639
(2E)(4E)-5-Phenylpenta-2,4-dienoic acid (5-hydroxycarbamoylpentyl)amide
CID 9879458
N-hydroxy-6-[[(E)-3-phenylprop-2-enoyl]amino]hexanamide
CID 9882059
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
N-(5-Hydroxycarbamoyl-pentyl)-benzamide
CID 9921260
N-hydroxy-3-[5-oxo-1-(3-phenylpropyl)-2H-pyrrol-4-yl]propanamide
CID 9947876
3-[1-[2-(3-fluorophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11150492
N-hydroxy-3-[1-(2-naphthalen-1-ylethyl)-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11151483
N-hydroxy-3-[6-oxo-1-(4-phenylbutyl)-2,3-dihydropyridin-5-yl]propanamide
CID 11162880

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide (CID 11460011) is N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide is O=C(CCC1=CCN(CCc2ccccc2)C1=O)NO.
What is the InChIKey of N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide?
The InChIKey is NMBBNWZQBOQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(16-20)7-6-13-9-11-17(15(13)19)10-8-12-4-2-1-3-5-12/h1-5,9,20H,6-8,10-11H2,(H,16,18).
What are the key properties of N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[5-oxo-1-(2-phenylethyl)-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11460011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).