2,5-bis(4-methoxyanilino)terephthalic acid

C22H20N2O6 — CID 3084837

IUPAC2,5-bis(4-methoxyanilino)terephthalic acid
SMILESCOc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(OC)cc3)cc2C(=O)O)cc1
InChIInChI=1S/C22H20N2O6/c1-29-15-7-3-13(4-8-15)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-14-5-9-16(30-2)10-6-14/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyUHNQJYAKDVEVGU-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.59
Rot. Bonds8

About 2,5-bis(4-methoxyanilino)terephthalic acid

2,5-bis(4-methoxyanilino)terephthalic acid (PubChem CID 3084837) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2,5-bis(4-methoxyanilino)terephthalic acid.

Molecular Properties

Compound Name2,5-bis(4-methoxyanilino)terephthalic acid
PubChem CID3084837
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name2,5-bis(4-methoxyanilino)terephthalic acid
SMILESCOc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(OC)cc3)cc2C(=O)O)cc1
InChIInChI=1S/C22H20N2O6/c1-29-15-7-3-13(4-8-15)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-14-5-9-16(30-2)10-6-14/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyUHNQJYAKDVEVGU-UHFFFAOYSA-N
XLogP4.59
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2,5-bis(4-methoxyanilino)terephthalic acid 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

5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-(4-methoxyanilino)-3-methylbenzoic acid
CID 174942223
2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]-5-methoxybenzoic acid
CID 22269685
2-anilino-5-fluoroterephthalic acid
CID 16748393
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
2-[4-[4-(1-adamantyl)anilino]anilino]-4-methoxybenzoic acid
CID 155134122
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
CID 83215965

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyanilino)terephthalic acid?
The IUPAC name of 2,5-bis(4-methoxyanilino)terephthalic acid (CID 3084837) is 2,5-bis(4-methoxyanilino)terephthalic acid.
What is the SMILES notation for 2,5-bis(4-methoxyanilino)terephthalic acid?
The canonical SMILES for 2,5-bis(4-methoxyanilino)terephthalic acid is COc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(OC)cc3)cc2C(=O)O)cc1.
What is the InChIKey of 2,5-bis(4-methoxyanilino)terephthalic acid?
The InChIKey is UHNQJYAKDVEVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-29-15-7-3-13(4-8-15)23-19-11-18(22(27)28)20(12-17(19)21(25)26)24-14-5-9-16(30-2)10-6-14/h3-12,23-24H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2,5-bis(4-methoxyanilino)terephthalic acid?
2,5-bis(4-methoxyanilino)terephthalic acid has a molecular weight of 408.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyanilino)terephthalic acid is sourced from PubChem (CID 3084837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).