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

C19H26N2O — CID 110654070

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
SMILESCCc1ccccc1NCC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C19H26N2O/c1-6-16-9-7-8-10-18(16)20-12-19(22)17-11-14(4)21(13(2)3)15(17)5/h7-11,13,20H,6,12H2,1-5H3
InChIKeySSWCACSPUBXROX-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.54
Rot. Bonds6

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

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone (PubChem CID 110654070) 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-(2-ethylanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
PubChem CID110654070
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
SMILESCCc1ccccc1NCC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C19H26N2O/c1-6-16-9-7-8-10-18(16)20-12-19(22)17-11-14(4)21(13(2)3)15(17)5/h7-11,13,20H,6,12H2,1-5H3
InChIKeySSWCACSPUBXROX-UHFFFAOYSA-N
XLogP4.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654078
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-propan-2-yloxyanilino)ethanone
CID 110654101
2-[4-(diethylamino)-2-methylanilino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654151
2-(3,5-dimethylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654067
2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654104
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006
2-(3,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654146
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 110654033
N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698947
2-[2-(3-chlorophenyl)ethylamino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654055
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone (CID 110654070) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone is CCc1ccccc1NCC(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone?
The InChIKey is SSWCACSPUBXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-6-16-9-7-8-10-18(16)20-12-19(22)17-11-14(4)21(13(2)3)15(17)5/h7-11,13,20H,6,12H2,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone has a molecular weight of 298.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 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-(2-ethylanilino)ethanone is sourced from PubChem (CID 110654070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).