[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

C22H32N3O2+ — CID 8789823

IUPAC[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)c1cc(C)n(CCc2ccccc2)c1C
InChIInChI=1S/C22H31N3O2/c1-5-12-23-22(27)16-24(4)15-21(26)20-14-17(2)25(18(20)3)13-11-19-9-7-6-8-10-19/h6-10,14H,5,11-13,15-16H2,1-4H3,(H,23,27)/p+1
InChIKeyQHNPOZMLNBGZMO-UHFFFAOYSA-O
MW370.52 g/mol
LogP1.57
Rot. Bonds10

About [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 8789823) has the molecular formula C22H32N3O2+ and a molecular weight of 370.52 g/mol. Its IUPAC name is [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
PubChem CID8789823
Molecular FormulaC22H32N3O2+
Molecular Weight370.52 g/mol
Exact Mass370.25
IUPAC Name[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
SMILESCCCNC(=O)C[NH+](C)CC(=O)c1cc(C)n(CCc2ccccc2)c1C
InChIInChI=1S/C22H31N3O2/c1-5-12-23-22(27)16-24(4)15-21(26)20-14-17(2)25(18(20)3)13-11-19-9-7-6-8-10-19/h6-10,14H,5,11-13,15-16H2,1-4H3,(H,23,27)/p+1
InChIKeyQHNPOZMLNBGZMO-UHFFFAOYSA-O
XLogP1.57
TPSA55.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium with MolForge

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Related Compounds

2-O-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504967
[2-(dimethylamino)-2-oxoethyl]-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylazanium
CID 8694845
1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone
CID 8827244
2-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethoxy]benzamide
CID 4791820
2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 78818763
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]ethanone
CID 8864327
2-[4-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78817641
1-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-thiomorpholin-4-ylethanone
CID 56524842
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123948
2-[ethyl(propyl)amino]-1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 90316002
[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(benzylcarbamoylamino)acetate
CID 16576106
[2-(tert-butylamino)-2-oxoethyl]-[2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylazanium
CID 8767096

Frequently Asked Questions

What is the IUPAC name of [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The IUPAC name of [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium (CID 8789823) is [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium.
What is the SMILES notation for [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The canonical SMILES for [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)c1cc(C)n(CCc2ccccc2)c1C.
What is the InChIKey of [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
The InChIKey is QHNPOZMLNBGZMO-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O2/c1-5-12-23-22(27)16-24(4)15-21(26)20-14-17(2)25(18(20)3)13-11-19-9-7-6-8-10-19/h6-10,14H,5,11-13,15-16H2,1-4H3,(H,23,27)/p+1.
What are the key properties of [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium?
[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 370.52 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 8789823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).