2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid

C16H24N2O3 — CID 61006911

IUPAC2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-5-6-18(10-15(20)21)9-14(19)17-16-12(3)7-11(2)8-13(16)4/h7-8H,5-6,9-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJMNWBKTXOGIKOX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid

2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid (PubChem CID 61006911) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
PubChem CID61006911
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O3/c1-5-6-18(10-15(20)21)9-14(19)17-16-12(3)7-11(2)8-13(16)4/h7-8H,5-6,9-10H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyJMNWBKTXOGIKOX-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008368
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[acetyl(propyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113158011
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007558
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
2-[[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012552
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid (CID 61006911) is 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid?
The InChIKey is JMNWBKTXOGIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-18(10-15(20)21)9-14(19)17-16-12(3)7-11(2)8-13(16)4/h7-8H,5-6,9-10H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid?
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid is sourced from PubChem (CID 61006911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).