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

C19H19NO6 — CID 102407595

IUPACdimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C19H19NO6/c1-24-14-7-4-12(5-8-14)10-17(21)20-13-6-9-15(18(22)25-2)16(11-13)19(23)26-3/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyOQZBJJMYXSHFHS-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.45
Rot. Bonds6

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

dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate (PubChem CID 102407595) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
PubChem CID102407595
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C19H19NO6/c1-24-14-7-4-12(5-8-14)10-17(21)20-13-6-9-15(18(22)25-2)16(11-13)19(23)26-3/h4-9,11H,10H2,1-3H3,(H,20,21)
InChIKeyOQZBJJMYXSHFHS-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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Related Compounds

dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 17296753
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
methyl 5-bromo-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoate
CID 8867169
dimethyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407593
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate (CID 102407595) is dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate is COC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1C(=O)OC.
What is the InChIKey of dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate?
The InChIKey is OQZBJJMYXSHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-14-7-4-12(5-8-14)10-17(21)20-13-6-9-15(18(22)25-2)16(11-13)19(23)26-3/h4-9,11H,10H2,1-3H3,(H,20,21).
What are the key properties of dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate?
dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-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 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 102407595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).