2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid

C17H17NO4 — CID 45346953

IUPAC2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccccc1OCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-16(19)18(2)14-9-5-4-8-13(14)17(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyJHIVKQXWSNFNPT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.74
Rot. Bonds5

About 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid

2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid (PubChem CID 45346953) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
PubChem CID45346953
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
SMILESCc1ccccc1OCC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-16(19)18(2)14-9-5-4-8-13(14)17(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyJHIVKQXWSNFNPT-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]benzoate
CID 2311637
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
CID 4930468
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 62333062
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
CID 4930793
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid (CID 45346953) is 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid is Cc1ccccc1OCC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is JHIVKQXWSNFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-7-3-6-10-15(12)22-11-16(19)18(2)14-9-5-4-8-13(14)17(20)21/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid?
2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 45346953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).