2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide

C17H33NO2 — CID 135003971

IUPAC2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(O)C1CCCCC1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)12-17(4,5)18-15(20)14(19)13-10-8-7-9-11-13/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyDGYKPVBADHUEHA-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.65
Rot. Bonds6

About 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide

2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide (PubChem CID 135003971) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide
PubChem CID135003971
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(O)C1CCCCC1
InChIInChI=1S/C17H33NO2/c1-6-16(2,3)12-17(4,5)18-15(20)14(19)13-10-8-7-9-11-13/h13-14,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyDGYKPVBADHUEHA-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide?
The IUPAC name of 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide (CID 135003971) is 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide is CCC(C)(C)CC(C)(C)NC(=O)C(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide?
The InChIKey is DGYKPVBADHUEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-16(2,3)12-17(4,5)18-15(20)14(19)13-10-8-7-9-11-13/h13-14,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide?
2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide has a molecular weight of 283.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-N-(2,4,4-trimethylhexan-2-yl)acetamide is sourced from PubChem (CID 135003971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).