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

C14H16N2O2 — CID 3021962

IUPAC2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
SMILESCc1ccc(C)n1-c1ccccc1OCC(N)=O
InChIInChI=1S/C14H16N2O2/c1-10-7-8-11(2)16(10)12-5-3-4-6-13(12)18-9-14(15)17/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyOVRLQDHJGCJRQA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.96
Rot. Bonds4

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

2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide (PubChem CID 3021962) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
PubChem CID3021962
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
SMILESCc1ccc(C)n1-c1ccccc1OCC(N)=O
InChIInChI=1S/C14H16N2O2/c1-10-7-8-11(2)16(10)12-5-3-4-6-13(12)18-9-14(15)17/h3-8H,9H2,1-2H3,(H2,15,17)
InChIKeyOVRLQDHJGCJRQA-UHFFFAOYSA-N
XLogP1.96
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.96
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-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide?
The IUPAC name of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide (CID 3021962) is 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide is Cc1ccc(C)n1-c1ccccc1OCC(N)=O.
What is the InChIKey of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide?
The InChIKey is OVRLQDHJGCJRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-7-8-11(2)16(10)12-5-3-4-6-13(12)18-9-14(15)17/h3-8H,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide?
2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 3021962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).