2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide

C24H48N2O3 — CID 163496869

IUPAC2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide
SMILESCCC(O)CNC(=O)C(CC(C)(C)C(C)(C)CC(C(N)=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48N2O3/c1-12-16(27)15-26-20(29)18(22(5,6)7)14-24(10,11)23(8,9)13-17(19(25)28)21(2,3)4/h16-18,27H,12-15H2,1-11H3,(H2,25,28)(H,26,29)
InChIKeyCRMFYGWJKJJREJ-UHFFFAOYSA-N
MW412.66 g/mol
LogP4.52
Rot. Bonds10

About 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide

2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide (PubChem CID 163496869) has the molecular formula C24H48N2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide.

Molecular Properties

Compound Name2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide
PubChem CID163496869
Molecular FormulaC24H48N2O3
Molecular Weight412.66 g/mol
Exact Mass412.37
IUPAC Name2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide
SMILESCCC(O)CNC(=O)C(CC(C)(C)C(C)(C)CC(C(N)=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48N2O3/c1-12-16(27)15-26-20(29)18(22(5,6)7)14-24(10,11)23(8,9)13-17(19(25)28)21(2,3)4/h16-18,27H,12-15H2,1-11H3,(H2,25,28)(H,26,29)
InChIKeyCRMFYGWJKJJREJ-UHFFFAOYSA-N
XLogP4.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.66
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide?
The IUPAC name of 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide (CID 163496869) is 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide.
What is the SMILES notation for 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide?
The canonical SMILES for 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide is CCC(O)CNC(=O)C(CC(C)(C)C(C)(C)CC(C(N)=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide?
The InChIKey is CRMFYGWJKJJREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3/c1-12-16(27)15-26-20(29)18(22(5,6)7)14-24(10,11)23(8,9)13-17(19(25)28)21(2,3)4/h16-18,27H,12-15H2,1-11H3,(H2,25,28)(H,26,29).
What are the key properties of 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide?
2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide has a molecular weight of 412.66 g/mol, XLogP of 4.52, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-N'-(2-hydroxybutyl)-4,4,5,5-tetramethyloctanediamide is sourced from PubChem (CID 163496869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).