N,N',N'-tribenzylbutanediamide

C25H26N2O2 — CID 4555128

IUPACN,N',N'-tribenzylbutanediamide
SMILESO=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H26N2O2/c28-24(26-18-21-10-4-1-5-11-21)16-17-25(29)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28)
InChIKeyRJFZGLVEVWAWIZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.31
Rot. Bonds9

About N,N',N'-tribenzylbutanediamide

N,N',N'-tribenzylbutanediamide (PubChem CID 4555128) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N',N'-tribenzylbutanediamide.

Molecular Properties

Compound NameN,N',N'-tribenzylbutanediamide
PubChem CID4555128
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN,N',N'-tribenzylbutanediamide
SMILESO=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H26N2O2/c28-24(26-18-21-10-4-1-5-11-21)16-17-25(29)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28)
InChIKeyRJFZGLVEVWAWIZ-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N',N'-tribenzylbutanediamide 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',N'-tribenzylbutanediamide?
The IUPAC name of N,N',N'-tribenzylbutanediamide (CID 4555128) is N,N',N'-tribenzylbutanediamide.
What is the SMILES notation for N,N',N'-tribenzylbutanediamide?
The canonical SMILES for N,N',N'-tribenzylbutanediamide is O=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N,N',N'-tribenzylbutanediamide?
The InChIKey is RJFZGLVEVWAWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-24(26-18-21-10-4-1-5-11-21)16-17-25(29)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15H,16-20H2,(H,26,28).
What are the key properties of N,N',N'-tribenzylbutanediamide?
N,N',N'-tribenzylbutanediamide has a molecular weight of 386.50 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tribenzylbutanediamide is sourced from PubChem (CID 4555128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).