2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide

C22H45NO — CID 87326076

IUPAC2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide
SMILESCCCCC(CC)CC(CC(CC)CCCC)(C(N)=O)C(C)(C)C
InChIInChI=1S/C22H45NO/c1-8-12-14-18(10-3)16-22(20(23)24,21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3,(H2,23,24)
InChIKeyNZTKGNGDLUXKOC-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.72
Rot. Bonds13

About 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide

2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide (PubChem CID 87326076) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide
PubChem CID87326076
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide
SMILESCCCCC(CC)CC(CC(CC)CCCC)(C(N)=O)C(C)(C)C
InChIInChI=1S/C22H45NO/c1-8-12-14-18(10-3)16-22(20(23)24,21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3,(H2,23,24)
InChIKeyNZTKGNGDLUXKOC-UHFFFAOYSA-N
XLogP6.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide?
The IUPAC name of 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide (CID 87326076) is 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide.
What is the SMILES notation for 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide?
The canonical SMILES for 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide is CCCCC(CC)CC(CC(CC)CCCC)(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide?
The InChIKey is NZTKGNGDLUXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-8-12-14-18(10-3)16-22(20(23)24,21(5,6)7)17-19(11-4)15-13-9-2/h18-19H,8-17H2,1-7H3,(H2,23,24).
What are the key properties of 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide?
2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide has a molecular weight of 339.61 g/mol, XLogP of 6.72, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-2-(2-ethylhexyl)octanamide is sourced from PubChem (CID 87326076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).