2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide

C22H45NO — CID 166667783

IUPAC2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide
SMILESCC(C)C(C)CC(C)(C)C(=O)NC(C)C(C)(C)C(C(C)C)C(C)C
InChIInChI=1S/C22H45NO/c1-14(2)17(7)13-21(9,10)20(24)23-18(8)22(11,12)19(15(3)4)16(5)6/h14-19H,13H2,1-12H3,(H,23,24)
InChIKeyMRIOEPICUWYSLO-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.15
Rot. Bonds9

About 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide

2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide (PubChem CID 166667783) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide
PubChem CID166667783
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide
SMILESCC(C)C(C)CC(C)(C)C(=O)NC(C)C(C)(C)C(C(C)C)C(C)C
InChIInChI=1S/C22H45NO/c1-14(2)17(7)13-21(9,10)20(24)23-18(8)22(11,12)19(15(3)4)16(5)6/h14-19H,13H2,1-12H3,(H,23,24)
InChIKeyMRIOEPICUWYSLO-UHFFFAOYSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)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 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide?
The IUPAC name of 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide (CID 166667783) is 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide.
What is the SMILES notation for 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide?
The canonical SMILES for 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide is CC(C)C(C)CC(C)(C)C(=O)NC(C)C(C)(C)C(C(C)C)C(C)C.
What is the InChIKey of 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide?
The InChIKey is MRIOEPICUWYSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-14(2)17(7)13-21(9,10)20(24)23-18(8)22(11,12)19(15(3)4)16(5)6/h14-19H,13H2,1-12H3,(H,23,24).
What are the key properties of 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide?
2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide has a molecular weight of 339.61 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-N-(3,3,5-trimethyl-4-propan-2-ylhexan-2-yl)hexanamide is sourced from PubChem (CID 166667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).