[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C20H20N2O4 — CID 9317876

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C20H20N2O4/c1-15-7-3-4-9-17(15)12-22(2)19(23)13-26-20(24)14-25-18-10-6-5-8-16(18)11-21/h3-10H,12-14H2,1-2H3
InChIKeyCKYNOKCQGRVUBH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds7

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9317876) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9317876
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)COc1ccccc1C#N
InChIInChI=1S/C20H20N2O4/c1-15-7-3-4-9-17(15)12-22(2)19(23)13-26-20(24)14-25-18-10-6-5-8-16(18)11-21/h3-10H,12-14H2,1-2H3
InChIKeyCKYNOKCQGRVUBH-UHFFFAOYSA-N
XLogP2.45
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274874
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843353
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 43374251
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7757485
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 23826491
2-(2-cyanophenoxy)-N-hydroxy-N-methylacetamide
CID 20669597
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9317876) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is Cc1ccccc1CN(C)C(=O)COC(=O)COc1ccccc1C#N.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is CKYNOKCQGRVUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-15-7-3-4-9-17(15)12-22(2)19(23)13-26-20(24)14-25-18-10-6-5-8-16(18)11-21/h3-10H,12-14H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9317876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).