5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid

C15H23N3O3 — CID 63022456

IUPAC5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
SMILESCCN(C)CCNC(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-5-18(4)7-6-16-15(21)17-12-8-10(2)11(3)13(9-12)14(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyWGLFRHDKCXUZHR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds6

About 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid

5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid (PubChem CID 63022456) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
PubChem CID63022456
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
SMILESCCN(C)CCNC(=O)Nc1cc(C)c(C)c(C(=O)O)c1
InChIInChI=1S/C15H23N3O3/c1-5-18(4)7-6-16-15(21)17-12-8-10(2)11(3)13(9-12)14(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyWGLFRHDKCXUZHR-UHFFFAOYSA-N
XLogP2.07
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 55097595
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 62636191
5-(cyclopropylmethylcarbamoylamino)-2,3-dimethylbenzoic acid
CID 63023487
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-3-methylbenzoic acid
CID 62634462
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,4-difluorobenzoic acid
CID 62635151
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
5-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 82939834
5-[[2-cyanoethyl(ethyl)carbamoyl]amino]-2,3-dimethylbenzoic acid
CID 63024009
2,3-dimethyl-5-[3-(methylamino)propanoylamino]benzoic acid
CID 63021225
2,3-dimethyl-5-(propan-2-ylcarbamoylamino)benzoic acid
CID 63021042

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid?
The IUPAC name of 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid (CID 63022456) is 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid.
What is the SMILES notation for 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid?
The canonical SMILES for 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid is CCN(C)CCNC(=O)Nc1cc(C)c(C)c(C(=O)O)c1.
What is the InChIKey of 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid?
The InChIKey is WGLFRHDKCXUZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(4)7-6-16-15(21)17-12-8-10(2)11(3)13(9-12)14(19)20/h8-9H,5-7H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid?
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid is sourced from PubChem (CID 63022456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).