2-[2-(dibutylamino)benzoyl]benzoic acid

C22H27NO3 — CID 23182045

IUPAC2-[2-(dibutylamino)benzoyl]benzoic acid
SMILESCCCCN(CCCC)c1ccccc1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H27NO3/c1-3-5-15-23(16-6-4-2)20-14-10-9-13-19(20)21(24)17-11-7-8-12-18(17)22(25)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,26)
InChIKeyBJIMPULNNHKLOP-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.02
Rot. Bonds10

About 2-[2-(dibutylamino)benzoyl]benzoic acid

2-[2-(dibutylamino)benzoyl]benzoic acid (PubChem CID 23182045) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[2-(dibutylamino)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(dibutylamino)benzoyl]benzoic acid
PubChem CID23182045
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name2-[2-(dibutylamino)benzoyl]benzoic acid
SMILESCCCCN(CCCC)c1ccccc1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C22H27NO3/c1-3-5-15-23(16-6-4-2)20-14-10-9-13-19(20)21(24)17-11-7-8-12-18(17)22(25)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,26)
InChIKeyBJIMPULNNHKLOP-UHFFFAOYSA-N
XLogP5.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibutylamino)benzoyl]benzoic acid?
The IUPAC name of 2-[2-(dibutylamino)benzoyl]benzoic acid (CID 23182045) is 2-[2-(dibutylamino)benzoyl]benzoic acid.
What is the SMILES notation for 2-[2-(dibutylamino)benzoyl]benzoic acid?
The canonical SMILES for 2-[2-(dibutylamino)benzoyl]benzoic acid is CCCCN(CCCC)c1ccccc1C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(dibutylamino)benzoyl]benzoic acid?
The InChIKey is BJIMPULNNHKLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-5-15-23(16-6-4-2)20-14-10-9-13-19(20)21(24)17-11-7-8-12-18(17)22(25)26/h7-14H,3-6,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-(dibutylamino)benzoyl]benzoic acid?
2-[2-(dibutylamino)benzoyl]benzoic acid has a molecular weight of 353.46 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibutylamino)benzoyl]benzoic acid is sourced from PubChem (CID 23182045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).