2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C19H26N2O — CID 110653897

IUPAC2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2ccccc2C(C)(C)C)c(C)n1C
InChIInChI=1S/C19H26N2O/c1-13-11-15(14(2)21(13)6)18(22)12-20-17-10-8-7-9-16(17)19(3,4)5/h7-11,20H,12H2,1-6H3
InChIKeyFRZJBSCAUJAKCT-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.23
Rot. Bonds4

About 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110653897) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110653897
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2ccccc2C(C)(C)C)c(C)n1C
InChIInChI=1S/C19H26N2O/c1-13-11-15(14(2)21(13)6)18(22)12-20-17-10-8-7-9-16(17)19(3,4)5/h7-11,20H,12H2,1-6H3
InChIKeyFRZJBSCAUJAKCT-UHFFFAOYSA-N
XLogP4.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.23
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
2-(2-bromoanilino)-1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654321
2-(propylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653820
ethyl 4-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzoate
CID 110653957
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
CID 110654070
1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
CID 9182741
N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 125145143
2-(1,3-benzodioxol-5-ylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653953
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-propan-2-yloxyanilino)ethanone
CID 110654101
2-(butylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653824
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110653897) is 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CNc2ccccc2C(C)(C)C)c(C)n1C.
What is the InChIKey of 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is FRZJBSCAUJAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-11-15(14(2)21(13)6)18(22)12-20-17-10-8-7-9-16(17)19(3,4)5/h7-11,20H,12H2,1-6H3.
What are the key properties of 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110653897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).