2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide

C19H23N3O2 — CID 46889806

IUPAC2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide
SMILESCCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C19H23N3O2/c1-5-15-12-22(13-18(23)21(3)4)17(6-2)19(15)24-16-9-7-14(11-20)8-10-16/h7-10,12H,5-6,13H2,1-4H3
InChIKeyNRFMNUFEZGQSHZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds6

About 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide

2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide (PubChem CID 46889806) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide
PubChem CID46889806
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide
SMILESCCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C19H23N3O2/c1-5-15-12-22(13-18(23)21(3)4)17(6-2)19(15)24-16-9-7-14(11-20)8-10-16/h7-10,12H,5-6,13H2,1-4H3
InChIKeyNRFMNUFEZGQSHZ-UHFFFAOYSA-N
XLogP3.37
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide 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 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide (CID 46889806) is 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide is CCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide?
The InChIKey is NRFMNUFEZGQSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-5-15-12-22(13-18(23)21(3)4)17(6-2)19(15)24-16-9-7-14(11-20)8-10-16/h7-10,12H,5-6,13H2,1-4H3.
What are the key properties of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide?
2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 46889806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).