dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate

C19H19NO6 — CID 3113371

IUPACdimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO6/c1-24-16-6-4-12(5-7-16)8-17(21)20-15-10-13(18(22)25-2)9-14(11-15)19(23)26-3/h4-7,9-11H,8H2,1-3H3,(H,20,21)
InChIKeyOCBMTCHQJBXKGZ-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.45
Rot. Bonds6

About dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 3113371) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID3113371
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO6/c1-24-16-6-4-12(5-7-16)8-17(21)20-15-10-13(18(22)25-2)9-14(11-15)19(23)26-3/h4-7,9-11H,8H2,1-3H3,(H,20,21)
InChIKeyOCBMTCHQJBXKGZ-UHFFFAOYSA-N
XLogP2.45
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate (CID 3113371) is dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)Cc2ccc(OC)cc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is OCBMTCHQJBXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-16-6-4-12(5-7-16)8-17(21)20-15-10-13(18(22)25-2)9-14(11-15)19(23)26-3/h4-7,9-11H,8H2,1-3H3,(H,20,21).
What are the key properties of dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3113371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).