methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate

C20H21NO6 — CID 7884840

IUPACmethyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-26-17-10-8-15(9-11-17)19(23)21-12-18(22)27-13-14-4-6-16(7-5-14)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVGGLWFIKSKZQKA-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.35
Rot. Bonds8

About methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate

methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate (PubChem CID 7884840) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
PubChem CID7884840
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namemethyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-3-26-17-10-8-15(9-11-17)19(23)21-12-18(22)27-13-14-4-6-16(7-5-14)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyVGGLWFIKSKZQKA-UHFFFAOYSA-N
XLogP2.35
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylsulfanylphenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884966
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
methyl 4-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxymethyl]benzoate
CID 7883473
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate (CID 7884840) is methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate is CCOc1ccc(C(=O)NCC(=O)OCc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The InChIKey is VGGLWFIKSKZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-26-17-10-8-15(9-11-17)19(23)21-12-18(22)27-13-14-4-6-16(7-5-14)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate has a molecular weight of 371.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-ethoxybenzoyl)amino]acetyl]oxymethyl]benzoate is sourced from PubChem (CID 7884840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).