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

C15H18N2O3 — CID 11208082

IUPACN-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccccc1CN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C15H18N2O3/c1-11-4-2-3-5-13(11)10-17-9-8-12(15(17)19)6-7-14(18)16-20/h2-5,8,20H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyFCOHMHUBUVRIQI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds5

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

N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11208082) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11208082
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1ccccc1CN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C15H18N2O3/c1-11-4-2-3-5-13(11)10-17-9-8-12(15(17)19)6-7-14(18)16-20/h2-5,8,20H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyFCOHMHUBUVRIQI-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
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
6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
CID 4871646
N'-hydroxy-N-(2-phenylethyl)pentanediamide
CID 72734543
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
N-hydroxy-3-[1-[2-(4-methylphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11185330
N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231147
3-(1-benzyl-6-oxo-2,3-dihydropyridin-5-yl)-N-hydroxypropanamide
CID 11277337
N-hydroxy-3-[5-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-2H-pyrrol-4-yl]propanamide
CID 11290441

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11208082) is N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is Cc1ccccc1CN1CC=C(CCC(=O)NO)C1=O.
What is the InChIKey of N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is FCOHMHUBUVRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-4-2-3-5-13(11)10-17-9-8-12(15(17)19)6-7-14(18)16-20/h2-5,8,20H,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[(2-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.55, 5 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-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11208082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).