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

C15H18N2O4 — CID 11403547

IUPACN-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccc(CN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-21-13-5-2-11(3-6-13)10-17-9-8-12(15(17)19)4-7-14(18)16-20/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,16,18)
InChIKeyQGCRFWXNOBTSDI-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds6

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

N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11403547) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11403547
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccc(CN2CC=C(CCC(=O)NO)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-21-13-5-2-11(3-6-13)10-17-9-8-12(15(17)19)4-7-14(18)16-20/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,16,18)
InChIKeyQGCRFWXNOBTSDI-UHFFFAOYSA-N
XLogP1.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11403547) is N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is COc1ccc(CN2CC=C(CCC(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is QGCRFWXNOBTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-13-5-2-11(3-6-13)10-17-9-8-12(15(17)19)4-7-14(18)16-20/h2-3,5-6,8,20H,4,7,9-10H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11403547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).