[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

C18H29N4O3+ — CID 9287497

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NCC(C)C)c1C
InChIInChI=1S/C18H28N4O3/c1-12(2)9-19-18(25)21-17(24)11-22(5)10-16(23)20-15-8-6-7-13(3)14(15)4/h6-8,12H,9-11H2,1-5H3,(H,20,23)(H2,19,21,24,25)/p+1
InChIKeyPJMPYBZBFOLIPJ-UHFFFAOYSA-O
MW349.46 g/mol
LogP0.24
Rot. Bonds7

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9287497) has the molecular formula C18H29N4O3+ and a molecular weight of 349.46 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9287497
Molecular FormulaC18H29N4O3+
Molecular Weight349.46 g/mol
Exact Mass349.22
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NCC(C)C)c1C
InChIInChI=1S/C18H28N4O3/c1-12(2)9-19-18(25)21-17(24)11-22(5)10-16(23)20-15-8-6-7-13(3)14(15)4/h6-8,12H,9-11H2,1-5H3,(H,20,23)(H2,19,21,24,25)/p+1
InChIKeyPJMPYBZBFOLIPJ-UHFFFAOYSA-O
XLogP0.24
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
CID 8553459
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 9287748
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
[2-(benzhydrylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9262013
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287839
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287746

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (CID 9287497) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)NC(=O)NCC(C)C)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is PJMPYBZBFOLIPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N4O3/c1-12(2)9-19-18(25)21-17(24)11-22(5)10-16(23)20-15-8-6-7-13(3)14(15)4/h6-8,12H,9-11H2,1-5H3,(H,20,23)(H2,19,21,24,25)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 349.46 g/mol, XLogP of 0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9287497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).