4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide

C21H22N2O5 — CID 90330462

IUPAC4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2cccc(Oc3ccccc3)c2)=C(O)C1=O
InChIInChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-11-6-12-27-16-9-5-10-17(13-16)28-15-7-3-2-4-8-15/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,25)
InChIKeyMFXMMMNYUBRPBP-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.65
Rot. Bonds8

About 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide

4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide (PubChem CID 90330462) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
PubChem CID90330462
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide
SMILESCN1CC(C(=O)NCCCOc2cccc(Oc3ccccc3)c2)=C(O)C1=O
InChIInChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-11-6-12-27-16-9-5-10-17(13-16)28-15-7-3-2-4-8-15/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,25)
InChIKeyMFXMMMNYUBRPBP-UHFFFAOYSA-N
XLogP2.65
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide (CID 90330462) is 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide is CN1CC(C(=O)NCCCOc2cccc(Oc3ccccc3)c2)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
The InChIKey is MFXMMMNYUBRPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-23-14-18(19(24)21(23)26)20(25)22-11-6-12-27-16-9-5-10-17(13-16)28-15-7-3-2-4-8-15/h2-5,7-10,13,24H,6,11-12,14H2,1H3,(H,22,25).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide?
4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-N-[3-(3-phenoxyphenoxy)propyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90330462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).