4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid

C14H20N2O4 — CID 62850824

IUPAC4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
SMILESCOCCN(C)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-16(9-10-20-2)8-7-15-13(17)11-3-5-12(6-4-11)14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGYBBGBSWCMNWLH-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.69
Rot. Bonds8

About 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid

4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid (PubChem CID 62850824) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
PubChem CID62850824
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
SMILESCOCCN(C)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-16(9-10-20-2)8-7-15-13(17)11-3-5-12(6-4-11)14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGYBBGBSWCMNWLH-UHFFFAOYSA-N
XLogP0.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62850274
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 63212418
4-amino-3-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 104782871
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62844638
3-amino-4-(dimethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 62842877
3-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 55126476
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119871098
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
5-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 63859816
3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 104852655

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid?
The IUPAC name of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid (CID 62850824) is 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid is COCCN(C)CCNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid?
The InChIKey is GYBBGBSWCMNWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(9-10-20-2)8-7-15-13(17)11-3-5-12(6-4-11)14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid?
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 62850824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).