[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium

C17H28N3O2+ — CID 8692228

IUPAC[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)17(22)12-19(5)11-16(21)18-15-9-8-13(3)10-14(15)4/h8-10H,6-7,11-12H2,1-5H3,(H,18,21)/p+1
InChIKeyJJPIBFCMYMURKL-UHFFFAOYSA-O
MW306.43 g/mol
LogP0.63
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium

[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 8692228) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID8692228
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H27N3O2/c1-6-20(7-2)17(22)12-19(5)11-16(21)18-15-9-8-13(3)10-14(15)4/h8-10H,6-7,11-12H2,1-5H3,(H,18,21)/p+1
InChIKeyJJPIBFCMYMURKL-UHFFFAOYSA-O
XLogP0.63
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylazanium
CID 8717805
[2-(diethylamino)-2-oxoethyl]-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 8692378
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9303422
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[2-[butyl(methyl)amino]-2-oxoethyl]-methylazanium
CID 8790463
(5-chlorothiophen-2-yl)methyl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9294261
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692910
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9043120
N-(2,4-dimethylphenyl)-3-methylpentanamide
CID 54564506
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8001780

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium (CID 8692228) is [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium is CCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is JJPIBFCMYMURKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-6-20(7-2)17(22)12-19(5)11-16(21)18-15-9-8-13(3)10-14(15)4/h8-10H,6-7,11-12H2,1-5H3,(H,18,21)/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium?
[2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 306.43 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8692228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).