N,N'-dibenzylbutanediamide

C18H20N2O2 — CID 3130297

IUPACN,N'-dibenzylbutanediamide
SMILESO=C(CCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-13-15-7-3-1-4-8-15)11-12-18(22)20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyYNGRIMNXGLLGOZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.40
Rot. Bonds7

About N,N'-dibenzylbutanediamide

N,N'-dibenzylbutanediamide (PubChem CID 3130297) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N'-dibenzylbutanediamide.

Molecular Properties

Compound NameN,N'-dibenzylbutanediamide
PubChem CID3130297
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN,N'-dibenzylbutanediamide
SMILESO=C(CCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-13-15-7-3-1-4-8-15)11-12-18(22)20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyYNGRIMNXGLLGOZ-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzylbutanediamide?
The IUPAC name of N,N'-dibenzylbutanediamide (CID 3130297) is N,N'-dibenzylbutanediamide.
What is the SMILES notation for N,N'-dibenzylbutanediamide?
The canonical SMILES for N,N'-dibenzylbutanediamide is O=C(CCC(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzylbutanediamide?
The InChIKey is YNGRIMNXGLLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(19-13-15-7-3-1-4-8-15)11-12-18(22)20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22).
What are the key properties of N,N'-dibenzylbutanediamide?
N,N'-dibenzylbutanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzylbutanediamide is sourced from PubChem (CID 3130297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).