methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate

C18H16N2O4 — CID 7382502

IUPACmethyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C18H16N2O4/c1-12-7-8-13(18(22)23-2)9-15(12)20-17(21)11-24-16-6-4-3-5-14(16)10-19/h3-9H,11H2,1-2H3,(H,20,21)
InChIKeyGDBSWCDJSPZSMU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.67
Rot. Bonds5

About methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate

methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate (PubChem CID 7382502) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
PubChem CID7382502
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C#N)c1
InChIInChI=1S/C18H16N2O4/c1-12-7-8-13(18(22)23-2)9-15(12)20-17(21)11-24-16-6-4-3-5-14(16)10-19/h3-9H,11H2,1-2H3,(H,20,21)
InChIKeyGDBSWCDJSPZSMU-UHFFFAOYSA-N
XLogP2.67
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2-ethoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 7840872
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
methyl 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate
CID 18204444
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
methyl 3-bromo-4-[2-(2-methylanilino)-2-oxoethoxy]benzoate
CID 36531543
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(5-amino-2-methylphenyl)-3-(2-cyanophenoxy)propanamide
CID 18069922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate (CID 7382502) is methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C#N)c1.
What is the InChIKey of methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate?
The InChIKey is GDBSWCDJSPZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-7-8-13(18(22)23-2)9-15(12)20-17(21)11-24-16-6-4-3-5-14(16)10-19/h3-9H,11H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate has a molecular weight of 324.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 7382502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).