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

C15H18N2O2 — CID 3021961

IUPAC2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide
SMILESCc1ccc(C)n1-c1ccc(OC(C)C(N)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)19-12(3)15(16)18/h4-9,12H,1-3H3,(H2,16,18)
InChIKeyJGZJXZCXFZBJSC-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.35
Rot. Bonds4

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

2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide (PubChem CID 3021961) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide
PubChem CID3021961
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide
SMILESCc1ccc(C)n1-c1ccc(OC(C)C(N)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)19-12(3)15(16)18/h4-9,12H,1-3H3,(H2,16,18)
InChIKeyJGZJXZCXFZBJSC-UHFFFAOYSA-N
XLogP2.35
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide?
The IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide (CID 3021961) is 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide.
What is the SMILES notation for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide?
The canonical SMILES for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide is Cc1ccc(C)n1-c1ccc(OC(C)C(N)=O)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide?
The InChIKey is JGZJXZCXFZBJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-5-11(2)17(10)13-6-8-14(9-7-13)19-12(3)15(16)18/h4-9,12H,1-3H3,(H2,16,18).
What are the key properties of 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide?
2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 3021961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).