N,N'-bis(2,4-dimethoxyphenyl)hexanediamide

C22H28N2O6 — CID 4601418

IUPACN,N'-bis(2,4-dimethoxyphenyl)hexanediamide
SMILESCOc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28N2O6/c1-27-15-9-11-17(19(13-15)29-3)23-21(25)7-5-6-8-22(26)24-18-12-10-16(28-2)14-20(18)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVMAVWEAARBQORG-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.86
Rot. Bonds11

About N,N'-bis(2,4-dimethoxyphenyl)hexanediamide

N,N'-bis(2,4-dimethoxyphenyl)hexanediamide (PubChem CID 4601418) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is N,N'-bis(2,4-dimethoxyphenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4-dimethoxyphenyl)hexanediamide
PubChem CID4601418
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN,N'-bis(2,4-dimethoxyphenyl)hexanediamide
SMILESCOc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C22H28N2O6/c1-27-15-9-11-17(19(13-15)29-3)23-21(25)7-5-6-8-22(26)24-18-12-10-16(28-2)14-20(18)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVMAVWEAARBQORG-UHFFFAOYSA-N
XLogP3.86
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis(2,4-dimethoxyphenyl)hexanediamide 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 N,N'-bis(2,4-dimethoxyphenyl)hexanediamide?
The IUPAC name of N,N'-bis(2,4-dimethoxyphenyl)hexanediamide (CID 4601418) is N,N'-bis(2,4-dimethoxyphenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(2,4-dimethoxyphenyl)hexanediamide?
The canonical SMILES for N,N'-bis(2,4-dimethoxyphenyl)hexanediamide is COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of N,N'-bis(2,4-dimethoxyphenyl)hexanediamide?
The InChIKey is VMAVWEAARBQORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-27-15-9-11-17(19(13-15)29-3)23-21(25)7-5-6-8-22(26)24-18-12-10-16(28-2)14-20(18)30-4/h9-14H,5-8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2,4-dimethoxyphenyl)hexanediamide?
N,N'-bis(2,4-dimethoxyphenyl)hexanediamide has a molecular weight of 416.47 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dimethoxyphenyl)hexanediamide is sourced from PubChem (CID 4601418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).