N,N,N',N'-tetrabenzylpropanediamide

C31H30N2O2 — CID 2384529

IUPACN,N,N',N'-tetrabenzylpropanediamide
SMILESO=C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O2/c34-30(32(22-26-13-5-1-6-14-26)23-27-15-7-2-8-16-27)21-31(35)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyHFKGPCMRODOLRM-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.83
Rot. Bonds10

About N,N,N',N'-tetrabenzylpropanediamide

N,N,N',N'-tetrabenzylpropanediamide (PubChem CID 2384529) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylpropanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylpropanediamide
PubChem CID2384529
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN,N,N',N'-tetrabenzylpropanediamide
SMILESO=C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H30N2O2/c34-30(32(22-26-13-5-1-6-14-26)23-27-15-7-2-8-16-27)21-31(35)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20H,21-25H2
InChIKeyHFKGPCMRODOLRM-UHFFFAOYSA-N
XLogP5.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylpropanediamide?
The IUPAC name of N,N,N',N'-tetrabenzylpropanediamide (CID 2384529) is N,N,N',N'-tetrabenzylpropanediamide.
What is the SMILES notation for N,N,N',N'-tetrabenzylpropanediamide?
The canonical SMILES for N,N,N',N'-tetrabenzylpropanediamide is O=C(CC(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N,N',N'-tetrabenzylpropanediamide?
The InChIKey is HFKGPCMRODOLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c34-30(32(22-26-13-5-1-6-14-26)23-27-15-7-2-8-16-27)21-31(35)33(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20H,21-25H2.
What are the key properties of N,N,N',N'-tetrabenzylpropanediamide?
N,N,N',N'-tetrabenzylpropanediamide has a molecular weight of 462.59 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylpropanediamide is sourced from PubChem (CID 2384529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).