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

C15H18N2O3 — CID 11231147

IUPACN-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)10-17-8-7-13(15(17)19)5-6-14(18)16-20/h2-4,7,9,20H,5-6,8,10H2,1H3,(H,16,18)
InChIKeyZKMBAGBVQCKSAY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds5

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

N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11231147) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11231147
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)10-17-8-7-13(15(17)19)5-6-14(18)16-20/h2-4,7,9,20H,5-6,8,10H2,1H3,(H,16,18)
InChIKeyZKMBAGBVQCKSAY-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

1H-Pyrrole-2,5-dione, 1,1'-(1,3-phenylenebis(methylene))bis(3-methyl-
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11231147) is N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is Cc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1.
What is the InChIKey of N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is ZKMBAGBVQCKSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-3-2-4-12(9-11)10-17-8-7-13(15(17)19)5-6-14(18)16-20/h2-4,7,9,20H,5-6,8,10H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-3-[1-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[(3-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-[(3-methylphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11231147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).