[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium

C24H31N4O3+ — CID 8810175

IUPAC[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C24H30N4O3/c1-3-14-27(17-23(30)26-21-8-5-4-7-18(21)2)16-22(29)25-19-10-12-20(13-11-19)28-15-6-9-24(28)31/h4-5,7-8,10-13H,3,6,9,14-17H2,1-2H3,(H,25,29)(H,26,30)/p+1
InChIKeyIPAWNJMZUCIYQH-UHFFFAOYSA-O
MW423.54 g/mol
LogP1.99
Rot. Bonds9

About [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium

[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium (PubChem CID 8810175) has the molecular formula C24H31N4O3+ and a molecular weight of 423.54 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
PubChem CID8810175
Molecular FormulaC24H31N4O3+
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C24H30N4O3/c1-3-14-27(17-23(30)26-21-8-5-4-7-18(21)2)16-22(29)25-19-10-12-20(13-11-19)28-15-6-9-24(28)31/h4-5,7-8,10-13H,3,6,9,14-17H2,1-2H3,(H,25,29)(H,26,30)/p+1
InChIKeyIPAWNJMZUCIYQH-UHFFFAOYSA-O
XLogP1.99
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium with MolForge

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Related Compounds

methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8791101
methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790197
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
(E)-N-(2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17439134
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
[2-(2-methylanilino)-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 8653826
3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8596314
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
[2-(cyclohexylmethylamino)-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8809985
2-ethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687285
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium (CID 8810175) is [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)Nc1ccccc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium?
The InChIKey is IPAWNJMZUCIYQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N4O3/c1-3-14-27(17-23(30)26-21-8-5-4-7-18(21)2)16-22(29)25-19-10-12-20(13-11-19)28-15-6-9-24(28)31/h4-5,7-8,10-13H,3,6,9,14-17H2,1-2H3,(H,25,29)(H,26,30)/p+1.
What are the key properties of [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium?
[2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium has a molecular weight of 423.54 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-propylazanium is sourced from PubChem (CID 8810175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).