dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate

C19H19NO7 — CID 1355426

IUPACdimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO7/c1-24-15-6-5-11(10-16(15)25-2)17(21)20-14-8-12(18(22)26-3)7-13(9-14)19(23)27-4/h5-10H,1-4H3,(H,20,21)
InChIKeyFWAXLEDHMBAFGM-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.53
Rot. Bonds6

About dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 1355426) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID1355426
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Namedimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1
InChIInChI=1S/C19H19NO7/c1-24-15-6-5-11(10-16(15)25-2)17(21)20-14-8-12(18(22)26-3)7-13(9-14)19(23)27-4/h5-10H,1-4H3,(H,20,21)
InChIKeyFWAXLEDHMBAFGM-UHFFFAOYSA-N
XLogP2.53
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
dimethyl 5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 1328960
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate (CID 1355426) is dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is FWAXLEDHMBAFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7/c1-24-15-6-5-11(10-16(15)25-2)17(21)20-14-8-12(18(22)26-3)7-13(9-14)19(23)27-4/h5-10H,1-4H3,(H,20,21).
What are the key properties of dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 373.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1355426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).