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

C16H20N2O4 — CID 11738253

IUPACN-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccccc1CCN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C16H20N2O4/c1-22-14-5-3-2-4-12(14)8-10-18-11-9-13(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyKPWBULDSDAGUKU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.29
Rot. Bonds7

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

N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide (PubChem CID 11738253) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
PubChem CID11738253
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
SMILESCOc1ccccc1CCN1CC=C(CCC(=O)NO)C1=O
InChIInChI=1S/C16H20N2O4/c1-22-14-5-3-2-4-12(14)8-10-18-11-9-13(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19)
InChIKeyKPWBULDSDAGUKU-UHFFFAOYSA-N
XLogP1.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.29
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-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide (CID 11738253) is N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide is COc1ccccc1CCN1CC=C(CCC(=O)NO)C1=O.
What is the InChIKey of N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
The InChIKey is KPWBULDSDAGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-22-14-5-3-2-4-12(14)8-10-18-11-9-13(16(18)20)6-7-15(19)17-21/h2-5,9,21H,6-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide?
N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide has a molecular weight of 304.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide is sourced from PubChem (CID 11738253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).