N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide

C11H23NO2 — CID 43501033

IUPACN-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCO)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(8-11(2,3)4)7-10(14)12-5-6-13/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyJECPTUXNSPVAST-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds5

About N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide

N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide (PubChem CID 43501033) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
PubChem CID43501033
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCO)CC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(8-11(2,3)4)7-10(14)12-5-6-13/h9,13H,5-8H2,1-4H3,(H,12,14)
InChIKeyJECPTUXNSPVAST-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide (CID 43501033) is N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide is CC(CC(=O)NCCO)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide?
The InChIKey is JECPTUXNSPVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(8-11(2,3)4)7-10(14)12-5-6-13/h9,13H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide?
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide has a molecular weight of 201.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 43501033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).