2-[[2-(3-methylphenoxy)acetyl]amino]benzoate

C16H14NO4- — CID 7035586

IUPAC2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H15NO4/c1-11-5-4-6-12(9-11)21-10-15(18)17-14-8-3-2-7-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyWBDKZICOSBPRRT-UHFFFAOYSA-M
MW284.29 g/mol
LogP1.38
Rot. Bonds5

About 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate

2-[[2-(3-methylphenoxy)acetyl]amino]benzoate (PubChem CID 7035586) has the molecular formula C16H14NO4- and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Name2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
PubChem CID7035586
Molecular FormulaC16H14NO4-
Molecular Weight284.29 g/mol
Exact Mass284.09
IUPAC Name2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C16H15NO4/c1-11-5-4-6-12(9-11)21-10-15(18)17-14-8-3-2-7-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyWBDKZICOSBPRRT-UHFFFAOYSA-M
XLogP1.38
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(3-methylphenoxy)-N-(2-nitrophenyl)acetamide
CID 4531468
N-[2-(1-hydroxyethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 60728516
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 890267
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate (CID 7035586) is 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate is Cc1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is WBDKZICOSBPRRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO4/c1-11-5-4-6-12(9-11)21-10-15(18)17-14-8-3-2-7-13(14)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate?
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate has a molecular weight of 284.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7035586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).