[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium

C17H28N3O2+ — CID 8553459

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)C(C)C)c1C
InChIInChI=1S/C17H27N3O2/c1-12(2)20(6)17(22)11-19(5)10-16(21)18-15-9-7-8-13(3)14(15)4/h7-9,12H,10-11H2,1-6H3,(H,18,21)/p+1
InChIKeyHCHOPUHCEFOLEB-UHFFFAOYSA-O
MW306.43 g/mol
LogP0.62
Rot. Bonds6

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium (PubChem CID 8553459) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
PubChem CID8553459
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)C(C)C)c1C
InChIInChI=1S/C17H27N3O2/c1-12(2)20(6)17(22)11-19(5)10-16(21)18-15-9-7-8-13(3)14(15)4/h7-9,12H,10-11H2,1-6H3,(H,18,21)/p+1
InChIKeyHCHOPUHCEFOLEB-UHFFFAOYSA-O
XLogP0.62
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8553035
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
[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(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 8552998
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9287497
[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-(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-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303392

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium (CID 8553459) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium is Cc1cccc(NC(=O)C[NH+](C)CC(=O)N(C)C(C)C)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium?
The InChIKey is HCHOPUHCEFOLEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)20(6)17(22)11-19(5)10-16(21)18-15-9-7-8-13(3)14(15)4/h7-9,12H,10-11H2,1-6H3,(H,18,21)/p+1.
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium?
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium has a molecular weight of 306.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8553459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).