1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone

C20H27NO2 — CID 110656179

IUPAC1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1cc(C)n(C(C)(C)C)c1C
InChIInChI=1S/C20H27NO2/c1-7-16-10-8-9-11-19(16)23-13-18(22)17-12-14(2)21(15(17)3)20(4,5)6/h8-12H,7,13H2,1-6H3
InChIKeyATXSWONLNPIFLH-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.68
Rot. Bonds5

About 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone

1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone (PubChem CID 110656179) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
PubChem CID110656179
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1cc(C)n(C(C)(C)C)c1C
InChIInChI=1S/C20H27NO2/c1-7-16-10-8-9-11-19(16)23-13-18(22)17-12-14(2)21(15(17)3)20(4,5)6/h8-12H,7,13H2,1-6H3
InChIKeyATXSWONLNPIFLH-UHFFFAOYSA-N
XLogP4.68
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethylphenoxy)ethanone
CID 110656181
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-chloro-5-methylphenoxy)ethanone
CID 110656212
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891953
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 78880776
2-(2-bromoanilino)-1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654321
2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110656095
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-(2,3-dimethoxyphenoxy)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110656323
2-[2-(hydroxymethyl)phenoxy]-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 78880777
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone (CID 110656179) is 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone is CCc1ccccc1OCC(=O)c1cc(C)n(C(C)(C)C)c1C.
What is the InChIKey of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is ATXSWONLNPIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-7-16-10-8-9-11-19(16)23-13-18(22)17-12-14(2)21(15(17)3)20(4,5)6/h8-12H,7,13H2,1-6H3.
What are the key properties of 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone?
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 313.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 110656179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).