4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid

C23H20N2O6 — CID 2194345

IUPAC4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
SMILESCOc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O6/c1-30-17-5-4-6-18(13-17)31-14-21(26)25-20-8-3-2-7-19(20)22(27)24-16-11-9-15(10-12-16)23(28)29/h2-13H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyBUWDNGGIMVSCOW-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.66
Rot. Bonds8

About 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid

4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid (PubChem CID 2194345) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
PubChem CID2194345
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
SMILESCOc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C23H20N2O6/c1-30-17-5-4-6-18(13-17)31-14-21(26)25-20-8-3-2-7-19(20)22(27)24-16-11-9-15(10-12-16)23(28)29/h2-13H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyBUWDNGGIMVSCOW-UHFFFAOYSA-N
XLogP3.66
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid with MolForge

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Related Compounds

4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466
4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
4-fluoro-N-[4-[[2-(3-methoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 112845502
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid (CID 2194345) is 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid is COc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
The InChIKey is BUWDNGGIMVSCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-30-17-5-4-6-18(13-17)31-14-21(26)25-20-8-3-2-7-19(20)22(27)24-16-11-9-15(10-12-16)23(28)29/h2-13H,14H2,1H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid?
4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid has a molecular weight of 420.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(3-methoxyphenoxy)acetyl]amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 2194345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).