3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide

C16H20N2O5 — CID 91005120

IUPAC3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
SMILESCOc1ccc(Cn2ccc(CCC(=O)NO)c2O)c(OC)c1
InChIInChI=1S/C16H20N2O5/c1-22-13-5-3-12(14(9-13)23-2)10-18-8-7-11(16(18)20)4-6-15(19)17-21/h3,5,7-9,20-21H,4,6,10H2,1-2H3,(H,17,19)
InChIKeyXPYHACBRNIXZSO-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.70
Rot. Bonds7

About 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide

3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide (PubChem CID 91005120) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
PubChem CID91005120
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide
SMILESCOc1ccc(Cn2ccc(CCC(=O)NO)c2O)c(OC)c1
InChIInChI=1S/C16H20N2O5/c1-22-13-5-3-12(14(9-13)23-2)10-18-8-7-11(16(18)20)4-6-15(19)17-21/h3,5,7-9,20-21H,4,6,10H2,1-2H3,(H,17,19)
InChIKeyXPYHACBRNIXZSO-UHFFFAOYSA-N
XLogP1.70
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-acetyl-3-(2,4-dimethoxyphenyl)propanamide
CID 171779335
1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-3,4-dicarboxylic acid
CID 123329362
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
7-[5-[(2,4-dimethoxyphenyl)methyl]-1,3,4,2-dioxathiazolidin-2-yl]-N-hydroxyheptanamide
CID 175559883
3-(bromomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 141351917
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide (CID 91005120) is 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide is COc1ccc(Cn2ccc(CCC(=O)NO)c2O)c(OC)c1.
What is the InChIKey of 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide?
The InChIKey is XPYHACBRNIXZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-22-13-5-3-12(14(9-13)23-2)10-18-8-7-11(16(18)20)4-6-15(19)17-21/h3,5,7-9,20-21H,4,6,10H2,1-2H3,(H,17,19).
What are the key properties of 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide?
3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide has a molecular weight of 320.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dimethoxyphenyl)methyl]-2-hydroxypyrrol-3-yl]-N-hydroxypropanamide is sourced from PubChem (CID 91005120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).