dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate

C28H32N2O8 — CID 21058626

IUPACdimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(N(C)c2cc(OC)ccc2OC)c(C(=O)OC)cc1N(C)c1cc(OC)ccc1OC
InChIInChI=1S/C28H32N2O8/c1-29(23-13-17(33-3)9-11-25(23)35-5)21-15-20(28(32)38-8)22(16-19(21)27(31)37-7)30(2)24-14-18(34-4)10-12-26(24)36-6/h9-16H,1-8H3
InChIKeyBLFJPGZWTQENLK-UHFFFAOYSA-N
MW524.57 g/mol
LogP4.83
Rot. Bonds10

About dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate

dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate (PubChem CID 21058626) has the molecular formula C28H32N2O8 and a molecular weight of 524.57 g/mol. Its IUPAC name is dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
PubChem CID21058626
Molecular FormulaC28H32N2O8
Molecular Weight524.57 g/mol
Exact Mass524.22
IUPAC Namedimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
SMILESCOC(=O)c1cc(N(C)c2cc(OC)ccc2OC)c(C(=O)OC)cc1N(C)c1cc(OC)ccc1OC
InChIInChI=1S/C28H32N2O8/c1-29(23-13-17(33-3)9-11-25(23)35-5)21-15-20(28(32)38-8)22(16-19(21)27(31)37-7)30(2)24-14-18(34-4)10-12-26(24)36-6/h9-16H,1-8H3
InChIKeyBLFJPGZWTQENLK-UHFFFAOYSA-N
XLogP4.83
TPSA96.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 125041871
2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801
2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
CID 115171966
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid
CID 57363242
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate (CID 21058626) is dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate is COC(=O)c1cc(N(C)c2cc(OC)ccc2OC)c(C(=O)OC)cc1N(C)c1cc(OC)ccc1OC.
What is the InChIKey of dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate?
The InChIKey is BLFJPGZWTQENLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O8/c1-29(23-13-17(33-3)9-11-25(23)35-5)21-15-20(28(32)38-8)22(16-19(21)27(31)37-7)30(2)24-14-18(34-4)10-12-26(24)36-6/h9-16H,1-8H3.
What are the key properties of dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate?
dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate has a molecular weight of 524.57 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate is sourced from PubChem (CID 21058626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).