[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C18H16N2O5 — CID 7854141

IUPAC[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H16N2O5/c1-23-15-7-2-3-8-16(15)24-12-18(22)25-11-17(21)20-14-6-4-5-13(9-14)10-19/h2-9H,11-12H2,1H3,(H,20,21)
InChIKeyHNCYCGXGTWNRSY-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.13
Rot. Bonds7

About [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 7854141) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID7854141
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H16N2O5/c1-23-15-7-2-3-8-16(15)24-12-18(22)25-11-17(21)20-14-6-4-5-13(9-14)10-19/h2-9H,11-12H2,1H3,(H,20,21)
InChIKeyHNCYCGXGTWNRSY-UHFFFAOYSA-N
XLogP2.13
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113037188
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227987
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 7854141) is [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is HNCYCGXGTWNRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-15-7-2-3-8-16(15)24-12-18(22)25-11-17(21)20-14-6-4-5-13(9-14)10-19/h2-9H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 340.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 7854141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).