methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate

C20H21NO6 — CID 7871156

IUPACmethyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccccc1OC
InChIInChI=1S/C20H21NO6/c1-25-17-10-6-3-7-14(17)11-12-19(23)27-13-18(22)21-16-9-5-4-8-15(16)20(24)26-2/h3-10H,11-13H2,1-2H3,(H,21,22)
InChIKeyWOXMVWIPDHOKNO-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.60
Rot. Bonds8

About methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate

methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate (PubChem CID 7871156) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
PubChem CID7871156
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namemethyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccccc1OC
InChIInChI=1S/C20H21NO6/c1-25-17-10-6-3-7-14(17)11-12-19(23)27-13-18(22)21-16-9-5-4-8-15(16)20(24)26-2/h3-10H,11-13H2,1-2H3,(H,21,22)
InChIKeyWOXMVWIPDHOKNO-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123
[2-(2-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524361
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871120
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524359
methyl 2-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 2390831
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
[2-(3-bromoanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871124

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate (CID 7871156) is methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)CCc1ccccc1OC.
What is the InChIKey of methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
The InChIKey is WOXMVWIPDHOKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-17-10-6-3-7-14(17)11-12-19(23)27-13-18(22)21-16-9-5-4-8-15(16)20(24)26-2/h3-10H,11-13H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate?
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate has a molecular weight of 371.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate is sourced from PubChem (CID 7871156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).