2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid

C14H20N2O3 — CID 62135454

IUPAC2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
SMILESCCCNC(=O)CN(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-4-7-15-13(17)9-16(3)11-5-6-12(14(18)19)10(2)8-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyPTGLJNZECAOJRQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid

2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid (PubChem CID 62135454) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
PubChem CID62135454
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
SMILESCCCNC(=O)CN(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-4-7-15-13(17)9-16(3)11-5-6-12(14(18)19)10(2)8-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyPTGLJNZECAOJRQ-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 55139193
2-methyl-4-[2-oxo-2-(propylamino)ethoxy]benzoic acid
CID 107671260
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 79850557
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
CID 62135793
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
2-[4-cyano-N-methyl-3-(trifluoromethyl)anilino]-N-propylacetamide
CID 61452628
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzoic acid
CID 113400011
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[(2-cyano-4-pyridinyl)-methylamino]-N-propylacetamide
CID 62936241

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid?
The IUPAC name of 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid (CID 62135454) is 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid is CCCNC(=O)CN(C)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid?
The InChIKey is PTGLJNZECAOJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-7-15-13(17)9-16(3)11-5-6-12(14(18)19)10(2)8-11/h5-6,8H,4,7,9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid?
2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid is sourced from PubChem (CID 62135454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).