2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid

C16H24N2O3 — CID 104548635

IUPAC2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid
SMILESCC(C)CNC(=O)CN(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-12(2)10-17-15(19)11-18(3)9-8-13-6-4-5-7-14(13)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyJVEYXIMPXCKRLI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds8

About 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid

2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid (PubChem CID 104548635) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid
PubChem CID104548635
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid
SMILESCC(C)CNC(=O)CN(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C16H24N2O3/c1-12(2)10-17-15(19)11-18(3)9-8-13-6-4-5-7-14(13)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyJVEYXIMPXCKRLI-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]ethyl]benzoic acid
CID 104548748
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]benzoic acid
CID 113425742
2-[2-[2-(dimethylamino)propylamino]-2-oxoethyl]benzoic acid
CID 113431503
2-[[[3-(2-methylpropylamino)-3-oxopropyl]amino]methyl]benzoic acid
CID 103263386
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
2-[2-[methyl-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]ethyl]benzoic acid
CID 104548683
2-[2-[[(E)-but-2-enyl]-methylamino]ethyl]benzoic acid
CID 104548854
2-[2-[heptyl(methyl)amino]ethyl]benzoic acid
CID 104548671
2-[2-[but-3-en-2-yl(methyl)amino]ethyl]benzoic acid
CID 104548719
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid (CID 104548635) is 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid is CC(C)CNC(=O)CN(C)CCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid?
The InChIKey is JVEYXIMPXCKRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)10-17-15(19)11-18(3)9-8-13-6-4-5-7-14(13)16(20)21/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid?
2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 104548635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).