3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide

C18H37NO — CID 155456074

IUPAC3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
SMILESCCCC(C)(C)CC(=O)NCC(C)CC(C)(C)C(C)C
InChIInChI=1S/C18H37NO/c1-9-10-17(5,6)12-16(20)19-13-15(4)11-18(7,8)14(2)3/h14-15H,9-13H2,1-8H3,(H,19,20)
InChIKeyQYYODANBFMZKKM-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.03
Rot. Bonds9

About 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide

3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide (PubChem CID 155456074) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
PubChem CID155456074
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
SMILESCCCC(C)(C)CC(=O)NCC(C)CC(C)(C)C(C)C
InChIInChI=1S/C18H37NO/c1-9-10-17(5,6)12-16(20)19-13-15(4)11-18(7,8)14(2)3/h14-15H,9-13H2,1-8H3,(H,19,20)
InChIKeyQYYODANBFMZKKM-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide 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 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide?
The IUPAC name of 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide (CID 155456074) is 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide?
The canonical SMILES for 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide is CCCC(C)(C)CC(=O)NCC(C)CC(C)(C)C(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide?
The InChIKey is QYYODANBFMZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-9-10-17(5,6)12-16(20)19-13-15(4)11-18(7,8)14(2)3/h14-15H,9-13H2,1-8H3,(H,19,20).
What are the key properties of 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide?
3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide has a molecular weight of 283.50 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide is sourced from PubChem (CID 155456074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).