4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid

C24H22N2O5 — CID 1298155

IUPAC4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H22N2O5/c1-15-6-5-7-16(2)22(15)31-14-21(27)26-20-9-4-3-8-19(20)23(28)25-18-12-10-17(11-13-18)24(29)30/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyCRLRJFMZRYHFDN-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.27
Rot. Bonds7

About 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid

4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid (PubChem CID 1298155) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
PubChem CID1298155
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
SMILESCc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C24H22N2O5/c1-15-6-5-7-16(2)22(15)31-14-21(27)26-20-9-4-3-8-19(20)23(28)25-18-12-10-17(11-13-18)24(29)30/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)
InChIKeyCRLRJFMZRYHFDN-UHFFFAOYSA-N
XLogP4.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 2194345
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid (CID 1298155) is 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid is Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The InChIKey is CRLRJFMZRYHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-15-6-5-7-16(2)22(15)31-14-21(27)26-20-9-4-3-8-19(20)23(28)25-18-12-10-17(11-13-18)24(29)30/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)(H,29,30).
What are the key properties of 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid has a molecular weight of 418.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1298155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).