N,N'-diphenylhexanediamide

C18H20N2O2 — CID 20523

IUPACN,N'-diphenylhexanediamide
SMILESO=C(CCCCC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)
InChIKeyQZLPDBKEVWFQNF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.82
Rot. Bonds7

About N,N'-diphenylhexanediamide

N,N'-diphenylhexanediamide (PubChem CID 20523) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N'-diphenylhexanediamide.

Molecular Properties

Compound NameN,N'-diphenylhexanediamide
PubChem CID20523
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN,N'-diphenylhexanediamide
SMILESO=C(CCCCC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22)
InChIKeyQZLPDBKEVWFQNF-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-diphenylhexanediamide 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'-diphenylhexanediamide?
The IUPAC name of N,N'-diphenylhexanediamide (CID 20523) is N,N'-diphenylhexanediamide.
What is the SMILES notation for N,N'-diphenylhexanediamide?
The canonical SMILES for N,N'-diphenylhexanediamide is O=C(CCCCC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of N,N'-diphenylhexanediamide?
The InChIKey is QZLPDBKEVWFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(19-15-9-3-1-4-10-15)13-7-8-14-18(22)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-diphenylhexanediamide?
N,N'-diphenylhexanediamide has a molecular weight of 296.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenylhexanediamide is sourced from PubChem (CID 20523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).