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

C15H18N2O4 — CID 11231592

IUPACN-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C15H18N2O4/c1-21-13-4-2-3-11(9-13)10-17-8-7-12(15(17)19)5-6-14(18)16-20/h2-4,7,9,20H,5-6,8,10H2,1H3,(H,16,18)
InChIKeyBUGVPZATIPVAKF-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds6

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

N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11231592) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11231592
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1
InChIInChI=1S/C15H18N2O4/c1-21-13-4-2-3-11(9-13)10-17-8-7-12(15(17)19)5-6-14(18)16-20/h2-4,7,9,20H,5-6,8,10H2,1H3,(H,16,18)
InChIKeyBUGVPZATIPVAKF-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-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11231592) is N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is COc1cccc(CN2CC=C(CCC(=O)NO)C2=O)c1.
What is the InChIKey of N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is BUGVPZATIPVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-13-4-2-3-11(9-13)10-17-8-7-12(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-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[(3-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-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11231592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).