4-(dimethylcarbamoyl)benzoic acid

C10H11NO3 — CID 11095480

IUPAC4-(dimethylcarbamoyl)benzoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyLHIJETBHEKJGOK-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.09
Rot. Bonds2

About 4-(dimethylcarbamoyl)benzoic acid

4-(dimethylcarbamoyl)benzoic acid (PubChem CID 11095480) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(dimethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoyl)benzoic acid
PubChem CID11095480
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(dimethylcarbamoyl)benzoic acid
SMILESCN(C)C(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyLHIJETBHEKJGOK-UHFFFAOYSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoyl)benzoic acid?
The IUPAC name of 4-(dimethylcarbamoyl)benzoic acid (CID 11095480) is 4-(dimethylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(dimethylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(dimethylcarbamoyl)benzoic acid is CN(C)C(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylcarbamoyl)benzoic acid?
The InChIKey is LHIJETBHEKJGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-(dimethylcarbamoyl)benzoic acid?
4-(dimethylcarbamoyl)benzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyl)benzoic acid is sourced from PubChem (CID 11095480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).