2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide

C15H18N2O3 — CID 3021959

IUPAC2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide
SMILESCc1ccc(C)n1-c1ccc(OC(C)C(=O)NO)cc1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)20-12(3)15(18)16-19/h4-9,12,19H,1-3H3,(H,16,18)
InChIKeyJOUDQKUCEBHEFQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.37
Rot. Bonds4

About 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide

2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide (PubChem CID 3021959) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide
PubChem CID3021959
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide
SMILESCc1ccc(C)n1-c1ccc(OC(C)C(=O)NO)cc1
InChIInChI=1S/C15H18N2O3/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)20-12(3)15(18)16-19/h4-9,12,19H,1-3H3,(H,16,18)
InChIKeyJOUDQKUCEBHEFQ-UHFFFAOYSA-N
XLogP2.37
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide?
The IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide (CID 3021959) is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide.
What is the SMILES notation for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide?
The canonical SMILES for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide is Cc1ccc(C)n1-c1ccc(OC(C)C(=O)NO)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide?
The InChIKey is JOUDQKUCEBHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)20-12(3)15(18)16-19/h4-9,12,19H,1-3H3,(H,16,18).
What are the key properties of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide?
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide has a molecular weight of 274.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-hydroxypropanamide is sourced from PubChem (CID 3021959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).