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

C17H19N3O2 — CID 46889804

IUPAC2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide
SMILESCCc1cn(CC(N)=O)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-3-13-10-20(11-16(19)21)15(4-2)17(13)22-14-7-5-12(9-18)6-8-14/h5-8,10H,3-4,11H2,1-2H3,(H2,19,21)
InChIKeyWUBWIEKKXVVRMX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.76
Rot. Bonds6

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

2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide (PubChem CID 46889804) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide
PubChem CID46889804
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide
SMILESCCc1cn(CC(N)=O)c(CC)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C17H19N3O2/c1-3-13-10-20(11-16(19)21)15(4-2)17(13)22-14-7-5-12(9-18)6-8-14/h5-8,10H,3-4,11H2,1-2H3,(H2,19,21)
InChIKeyWUBWIEKKXVVRMX-UHFFFAOYSA-N
XLogP2.76
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide?
The IUPAC name of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide (CID 46889804) is 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide is CCc1cn(CC(N)=O)c(CC)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide?
The InChIKey is WUBWIEKKXVVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-13-10-20(11-16(19)21)15(4-2)17(13)22-14-7-5-12(9-18)6-8-14/h5-8,10H,3-4,11H2,1-2H3,(H2,19,21).
What are the key properties of 2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide?
2-[3-(4-cyanophenoxy)-2,4-diethylpyrrol-1-yl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 46889804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).