N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide

C25H26N2O2 — CID 108947400

IUPACN,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-2-26(19-21-12-6-3-7-13-21)24(28)18-25(29)27(23-16-10-5-11-17-23)20-22-14-8-4-9-15-22/h3-17H,2,18-20H2,1H3
InChIKeyFHPFCJDEEXRTHL-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.66
Rot. Bonds8

About N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide

N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide (PubChem CID 108947400) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
PubChem CID108947400
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-2-26(19-21-12-6-3-7-13-21)24(28)18-25(29)27(23-16-10-5-11-17-23)20-22-14-8-4-9-15-22/h3-17H,2,18-20H2,1H3
InChIKeyFHPFCJDEEXRTHL-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.66
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,N-diethyl-N'-phenylpropanediamide
CID 108951133
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
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-pentyl-N'-phenylpropanediamide
CID 108951958
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

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide?
The IUPAC name of N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide (CID 108947400) is N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide.
What is the SMILES notation for N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide?
The canonical SMILES for N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide?
The InChIKey is FHPFCJDEEXRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-26(19-21-12-6-3-7-13-21)24(28)18-25(29)27(23-16-10-5-11-17-23)20-22-14-8-4-9-15-22/h3-17H,2,18-20H2,1H3.
What are the key properties of N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide?
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide has a molecular weight of 386.50 g/mol, XLogP of 4.66, 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-ethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108947400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).