methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate

C20H22N2O6 — CID 46637026

IUPACmethyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCCOc1ccc(OCC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H22N2O6/c1-3-27-16-8-10-17(11-9-16)28-13-18(23)22-15-6-4-14(5-7-15)20(25)21-12-19(24)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFGWYCFFRDOPTAI-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.01
Rot. Bonds9

About methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate (PubChem CID 46637026) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
PubChem CID46637026
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Namemethyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCCOc1ccc(OCC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H22N2O6/c1-3-27-16-8-10-17(11-9-16)28-13-18(23)22-15-6-4-14(5-7-15)20(25)21-12-19(24)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFGWYCFFRDOPTAI-UHFFFAOYSA-N
XLogP2.01
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 9049177
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate (CID 46637026) is methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate is CCOc1ccc(OCC(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is FGWYCFFRDOPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-3-27-16-8-10-17(11-9-16)28-13-18(23)22-15-6-4-14(5-7-15)20(25)21-12-19(24)26-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 386.40 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 46637026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).