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

C19H19NO6 — CID 2383271

IUPACmethyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO6/c1-24-16-9-7-14(8-10-16)18(22)20-11-17(21)26-12-13-3-5-15(6-4-13)19(23)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDJJIAJRCMNPZBK-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.96
Rot. Bonds7

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

methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate (PubChem CID 2383271) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate
PubChem CID2383271
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namemethyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO6/c1-24-16-9-7-14(8-10-16)18(22)20-11-17(21)26-12-13-3-5-15(6-4-13)19(23)25-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDJJIAJRCMNPZBK-UHFFFAOYSA-N
XLogP1.96
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The IUPAC name of methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate (CID 2383271) is methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
The InChIKey is DJJIAJRCMNPZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-16-9-7-14(8-10-16)18(22)20-11-17(21)26-12-13-3-5-15(6-4-13)19(23)25-2/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate?
methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate has a molecular weight of 357.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-methoxybenzoyl)amino]acetyl]oxymethyl]benzoate is sourced from PubChem (CID 2383271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).