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

C17H22N2O3 — CID 11738183

IUPACN-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccccc1CCCN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C17H22N2O3/c1-13-5-2-3-6-14(13)7-4-11-19-12-10-15(17(19)21)8-9-16(20)18-22/h2-3,5-6,10,22H,4,7-9,11-12H2,1H3,(H,18,20)
InChIKeyUCRPJOSSXYXDFK-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.98
Rot. Bonds7

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

N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11738183) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11738183
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccccc1CCCN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C17H22N2O3/c1-13-5-2-3-6-14(13)7-4-11-19-12-10-15(17(19)21)8-9-16(20)18-22/h2-3,5-6,10,22H,4,7-9,11-12H2,1H3,(H,18,20)
InChIKeyUCRPJOSSXYXDFK-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.98
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
(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
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-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11185330
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
N-hydroxy-3-(1-(3-(naphthalen-2-yl)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanamide
CID 11244651
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
CID 11277337

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11738183) is N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is Cc1ccccc1CCCN1CC=C(CCC(=O)NO)C1=O.
What is the InChIKey of N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is UCRPJOSSXYXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-5-2-3-6-14(13)7-4-11-19-12-10-15(17(19)21)8-9-16(20)18-22/h2-3,5-6,10,22H,4,7-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 302.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[3-(2-methylphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).