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

C19H26N2O — CID 110654010

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
SMILESCc1cc(C(=O)CNC(C)c2ccccc2)c(C)n1C(C)C
InChIInChI=1S/C19H26N2O/c1-13(2)21-14(3)11-18(16(21)5)19(22)12-20-15(4)17-9-7-6-8-10-17/h6-11,13,15,20H,12H2,1-5H3
InChIKeyYNNMUXVGUYSYIK-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.22
Rot. Bonds6

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

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone (PubChem CID 110654010) 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-(1-phenylethylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
PubChem CID110654010
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
SMILESCc1cc(C(=O)CNC(C)c2ccccc2)c(C)n1C(C)C
InChIInChI=1S/C19H26N2O/c1-13(2)21-14(3)11-18(16(21)5)19(22)12-20-15(4)17-9-7-6-8-10-17/h6-11,13,15,20H,12H2,1-5H3
InChIKeyYNNMUXVGUYSYIK-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-ethylanilino)ethanone
CID 110654070
[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7821351
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-(3,5-dimethylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654067
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-(N-ethylanilino)ethanone
CID 110654072
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-phenoxyphenoxy)ethanone
CID 110656150
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654145
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-(1-phenylethylamino)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone (CID 110654010) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone is Cc1cc(C(=O)CNC(C)c2ccccc2)c(C)n1C(C)C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone?
The InChIKey is YNNMUXVGUYSYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13(2)21-14(3)11-18(16(21)5)19(22)12-20-15(4)17-9-7-6-8-10-17/h6-11,13,15,20H,12H2,1-5H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone has a molecular weight of 298.43 g/mol, XLogP of 4.22, 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-(1-phenylethylamino)ethanone is sourced from PubChem (CID 110654010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).