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

C13H16N2O4 — CID 114132536

IUPAC2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
SMILESCCN(C)C(=O)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-15(2)11(16)8-14-12(17)9-6-4-5-7-10(9)13(18)19/h4-7H,3,8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyOJOHKVNJTRPTJP-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.59
Rot. Bonds5

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

2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid (PubChem CID 114132536) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
PubChem CID114132536
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
SMILESCCN(C)C(=O)CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-3-15(2)11(16)8-14-12(17)9-6-4-5-7-10(9)13(18)19/h4-7H,3,8H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyOJOHKVNJTRPTJP-UHFFFAOYSA-N
XLogP0.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
3-[[2-[(2-chlorobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 60988640
2-(acetamidomethylcarbamoyl)benzoic acid
CID 170089570
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]benzoic acid
CID 43567862
2-[2-(2-ethylbutanoylamino)ethylcarbamoyl]benzoic acid
CID 113083346
5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104920335
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923743

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid (CID 114132536) is 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid is CCN(C)C(=O)CNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid?
The InChIKey is OJOHKVNJTRPTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-15(2)11(16)8-14-12(17)9-6-4-5-7-10(9)13(18)19/h4-7H,3,8H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid?
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid is sourced from PubChem (CID 114132536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).