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

C16H20N2O3 — CID 11185330

IUPACN-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccc(CCN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)8-10-18-11-9-14(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyBPYPLZHEGIAUQG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.59
Rot. Bonds6

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

N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11185330) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11185330
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccc(CCN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)8-10-18-11-9-14(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyBPYPLZHEGIAUQG-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.59
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'-hydroxy-N-(2-phenylethyl)pentanediamide
CID 72734543
N-hydroxy-4-(2-oleamidoethyl)benzamide
CID 44441632
(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-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
N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11208082
N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231147
3-[1-[2-(4-bromophenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]-N-hydroxypropanamide
CID 11233491

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11185330) is N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide is Cc1ccc(CCN2CC=C(CCC(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is BPYPLZHEGIAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)8-10-18-11-9-14(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11185330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).