3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid

C16H15NO4 — CID 3420785

IUPAC3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
SMILESCc1ccccc1NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-11-5-2-3-8-14(11)17-15(18)10-21-13-7-4-6-12(9-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNABMPNXQMJEPTM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.71
Rot. Bonds5

About 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid

3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid (PubChem CID 3420785) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
PubChem CID3420785
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
SMILESCc1ccccc1NC(=O)COc1cccc(C(=O)O)c1
InChIInChI=1S/C16H15NO4/c1-11-5-2-3-8-14(11)17-15(18)10-21-13-7-4-6-12(9-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyNABMPNXQMJEPTM-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
N-cyclopropyl-3-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 87021689
3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
3-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417235
methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
CID 35986892
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2454873
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639
N-benzyl-3-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzamide
CID 9253155
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid (CID 3420785) is 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid is Cc1ccccc1NC(=O)COc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid?
The InChIKey is NABMPNXQMJEPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-5-2-3-8-14(11)17-15(18)10-21-13-7-4-6-12(9-13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid?
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 3420785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).