N,N'-dibenzylpropanediamide

C17H18N2O2 — CID 735256

IUPACN,N'-dibenzylpropanediamide
SMILESO=C(CC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16(18-12-14-7-3-1-4-8-14)11-17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyRHHVWHPMKFVUGF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.01
Rot. Bonds6

About N,N'-dibenzylpropanediamide

N,N'-dibenzylpropanediamide (PubChem CID 735256) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N,N'-dibenzylpropanediamide.

Molecular Properties

Compound NameN,N'-dibenzylpropanediamide
PubChem CID735256
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN,N'-dibenzylpropanediamide
SMILESO=C(CC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H18N2O2/c20-16(18-12-14-7-3-1-4-8-14)11-17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyRHHVWHPMKFVUGF-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N'-dibenzylpropanediamide 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'-dibenzylpropanediamide?
The IUPAC name of N,N'-dibenzylpropanediamide (CID 735256) is N,N'-dibenzylpropanediamide.
What is the SMILES notation for N,N'-dibenzylpropanediamide?
The canonical SMILES for N,N'-dibenzylpropanediamide is O=C(CC(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzylpropanediamide?
The InChIKey is RHHVWHPMKFVUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16(18-12-14-7-3-1-4-8-14)11-17(21)19-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21).
What are the key properties of N,N'-dibenzylpropanediamide?
N,N'-dibenzylpropanediamide has a molecular weight of 282.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzylpropanediamide is sourced from PubChem (CID 735256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).