1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone

C19H26N2O — CID 110654072

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)n(C(C)C)c1C)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-6-20(17-10-8-7-9-11-17)13-19(22)18-12-15(4)21(14(2)3)16(18)5/h7-12,14H,6,13H2,1-5H3
InChIKeyCLEXMUCMNITBEA-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.40
Rot. Bonds6

About 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone (PubChem CID 110654072) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
PubChem CID110654072
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)n(C(C)C)c1C)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-6-20(17-10-8-7-9-11-17)13-19(22)18-12-15(4)21(14(2)3)16(18)5/h7-12,14H,6,13H2,1-5H3
InChIKeyCLEXMUCMNITBEA-UHFFFAOYSA-N
XLogP4.40
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)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

2-[4-(diethylamino)-2-methylanilino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654151
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 4809023
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-phenoxyphenoxy)ethanone
CID 110656150
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
CID 110654070
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7821351
1-(3,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420264
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8530122
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 7797701

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone (CID 110654072) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone is CCN(CC(=O)c1cc(C)n(C(C)C)c1C)c1ccccc1.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone?
The InChIKey is CLEXMUCMNITBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-6-20(17-10-8-7-9-11-17)13-19(22)18-12-15(4)21(14(2)3)16(18)5/h7-12,14H,6,13H2,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone has a molecular weight of 298.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(N-ethylanilino)ethanone is sourced from PubChem (CID 110654072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).