4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid

C16H16N2O4 — CID 2329032

IUPAC4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCXAMVWZDVNZJLC-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.44
Rot. Bonds6

About 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid (PubChem CID 2329032) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
PubChem CID2329032
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCXAMVWZDVNZJLC-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 2329031
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
4-[(2-methoxyphenyl)carbamoylamino]benzoic acid
CID 853793
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845563
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid (CID 2329032) is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid is COc1ccccc1NC(=O)CNc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid?
The InChIKey is CXAMVWZDVNZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid?
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid is sourced from PubChem (CID 2329032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).