1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

C24H22N4O6 — CID 3983721

IUPAC1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(O)c(OC)c3)cc2)ccc1O
InChIInChI=1S/C24H22N4O6/c1-33-21-11-15(3-9-19(21)29)13-25-27-23(31)17-5-7-18(8-6-17)24(32)28-26-14-16-4-10-20(30)22(12-16)34-2/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32)
InChIKeyVNAFOTHAZIKKNM-UHFFFAOYSA-N
MW462.46 g/mol
LogP2.64
Rot. Bonds8

About 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 3983721) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID3983721
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Name1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCOc1cc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(O)c(OC)c3)cc2)ccc1O
InChIInChI=1S/C24H22N4O6/c1-33-21-11-15(3-9-19(21)29)13-25-27-23(31)17-5-7-18(8-6-17)24(32)28-26-14-16-4-10-20(30)22(12-16)34-2/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32)
InChIKeyVNAFOTHAZIKKNM-UHFFFAOYSA-N
XLogP2.64
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 3983721) is 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is COc1cc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(O)c(OC)c3)cc2)ccc1O.
What is the InChIKey of 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is VNAFOTHAZIKKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-33-21-11-15(3-9-19(21)29)13-25-27-23(31)17-5-7-18(8-6-17)24(32)28-26-14-16-4-10-20(30)22(12-16)34-2/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 462.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 3983721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).