2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide

C20H21N3O2 — CID 46889848

IUPAC2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
InChIInChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
InChIKeyAALHNBNOUAEYHF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds6

About 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide

2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide (PubChem CID 46889848) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide
PubChem CID46889848
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
InChIInChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24)
InChIKeyAALHNBNOUAEYHF-UHFFFAOYSA-N
XLogP3.65
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
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-dicyclopropylpyrrol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide (CID 46889848) is 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1.
What is the InChIKey of 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide?
The InChIKey is AALHNBNOUAEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22-18(24)12-23-11-17(14-4-5-14)20(19(23)15-6-7-15)25-16-8-2-13(10-21)3-9-16/h2-3,8-9,11,14-15H,4-7,12H2,1H3,(H,22,24).
What are the key properties of 2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide?
2-[3-(4-cyanophenoxy)-2,4-dicyclopropylpyrrol-1-yl]-N-methylacetamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 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-dicyclopropylpyrrol-1-yl]-N-methylacetamide is sourced from PubChem (CID 46889848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).