N,N'-bis(1-adamantyl)pentanediamide

C25H38N2O2 — CID 2933517

IUPACN,N'-bis(1-adamantyl)pentanediamide
SMILESO=C(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H38N2O2/c28-22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)2-1-3-23(29)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H,26,28)(H,27,29)
InChIKeyJGAASKOLAZASFL-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.33
Rot. Bonds6

About N,N'-bis(1-adamantyl)pentanediamide

N,N'-bis(1-adamantyl)pentanediamide (PubChem CID 2933517) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N,N'-bis(1-adamantyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(1-adamantyl)pentanediamide
PubChem CID2933517
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN,N'-bis(1-adamantyl)pentanediamide
SMILESO=C(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H38N2O2/c28-22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)2-1-3-23(29)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H,26,28)(H,27,29)
InChIKeyJGAASKOLAZASFL-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-adamantyl)pentanediamide?
The IUPAC name of N,N'-bis(1-adamantyl)pentanediamide (CID 2933517) is N,N'-bis(1-adamantyl)pentanediamide.
What is the SMILES notation for N,N'-bis(1-adamantyl)pentanediamide?
The canonical SMILES for N,N'-bis(1-adamantyl)pentanediamide is O=C(CCCC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N'-bis(1-adamantyl)pentanediamide?
The InChIKey is JGAASKOLAZASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c28-22(26-24-10-16-4-17(11-24)6-18(5-16)12-24)2-1-3-23(29)27-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H,26,28)(H,27,29).
What are the key properties of N,N'-bis(1-adamantyl)pentanediamide?
N,N'-bis(1-adamantyl)pentanediamide has a molecular weight of 398.59 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-adamantyl)pentanediamide is sourced from PubChem (CID 2933517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).