2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

C16H24N2O3 — CID 62821189

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(C)c1C)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-6-18(16(4,5)15(20)21)10-14(19)17-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,20,21)
InChIKeyTYCGUPSOYMSZSJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds6

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62821189) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62821189
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1cccc(C)c1C)C(C)(C)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-6-18(16(4,5)15(20)21)10-14(19)17-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,20,21)
InChIKeyTYCGUPSOYMSZSJ-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820404
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
N-(2,3-dimethylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115637950
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 864327
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
2-(2-amino-2-methylpropyl)sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 66229045
2-(diethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 56538678

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (CID 62821189) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(=O)Nc1cccc(C)c1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is TYCGUPSOYMSZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-18(16(4,5)15(20)21)10-14(19)17-13-9-7-8-11(2)12(13)3/h7-9H,6,10H2,1-5H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).