N,N'-dibenzylhexanediamide

C20H24N2O2 — CID 4079537

IUPACN,N'-dibenzylhexanediamide
SMILESO=C(CCCCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24)
InChIKeyMFBKELHPKHLNTH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.18
Rot. Bonds9

About N,N'-dibenzylhexanediamide

N,N'-dibenzylhexanediamide (PubChem CID 4079537) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,N'-dibenzylhexanediamide.

Molecular Properties

Compound NameN,N'-dibenzylhexanediamide
PubChem CID4079537
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,N'-dibenzylhexanediamide
SMILESO=C(CCCCC(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24)
InChIKeyMFBKELHPKHLNTH-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzylhexanediamide?
The IUPAC name of N,N'-dibenzylhexanediamide (CID 4079537) is N,N'-dibenzylhexanediamide.
What is the SMILES notation for N,N'-dibenzylhexanediamide?
The canonical SMILES for N,N'-dibenzylhexanediamide is O=C(CCCCC(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzylhexanediamide?
The InChIKey is MFBKELHPKHLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)22-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-dibenzylhexanediamide?
N,N'-dibenzylhexanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzylhexanediamide is sourced from PubChem (CID 4079537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).