N,N'-dibenzyl-N,N'-diethylpropanediamide

C21H26N2O2 — CID 2392254

IUPACN,N'-dibenzyl-N,N'-diethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-22(16-18-11-7-5-8-12-18)20(24)15-21(25)23(4-2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyUXXQBWCUGQPVDT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds8

About N,N'-dibenzyl-N,N'-diethylpropanediamide

N,N'-dibenzyl-N,N'-diethylpropanediamide (PubChem CID 2392254) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N'-dibenzyl-N,N'-diethylpropanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N,N'-diethylpropanediamide
PubChem CID2392254
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N'-dibenzyl-N,N'-diethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-22(16-18-11-7-5-8-12-18)20(24)15-21(25)23(4-2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyUXXQBWCUGQPVDT-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
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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Related Compounds

N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
1-benzyl-1,3-diethyl-3-sulfanylurea
CID 88794196
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N,N'-diethylpropanediamide?
The IUPAC name of N,N'-dibenzyl-N,N'-diethylpropanediamide (CID 2392254) is N,N'-dibenzyl-N,N'-diethylpropanediamide.
What is the SMILES notation for N,N'-dibenzyl-N,N'-diethylpropanediamide?
The canonical SMILES for N,N'-dibenzyl-N,N'-diethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N,N'-diethylpropanediamide?
The InChIKey is UXXQBWCUGQPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-22(16-18-11-7-5-8-12-18)20(24)15-21(25)23(4-2)17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of N,N'-dibenzyl-N,N'-diethylpropanediamide?
N,N'-dibenzyl-N,N'-diethylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-N,N'-diethylpropanediamide is sourced from PubChem (CID 2392254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).