N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide

C12H23NO3 — CID 166130930

IUPACN-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NCCO
InChIInChI=1S/C12H23NO3/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14/h14H,6-8H2,1-5H3,(H,13,16)
InChIKeySUDCLASTFSXFOM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.13
Rot. Bonds6

About N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide

N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide (PubChem CID 166130930) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
PubChem CID166130930
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CC(C)(C)C(=O)NCCO
InChIInChI=1S/C12H23NO3/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14/h14H,6-8H2,1-5H3,(H,13,16)
InChIKeySUDCLASTFSXFOM-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
CID 166130929
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
CID 134337619
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
2-ethyl-2,4,4-trimethyl-N-[2-[2-(methylamino)ethylamino]ethyl]-5-oxohexanamide
CID 118900851
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide?
The IUPAC name of N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide (CID 166130930) is N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide is CC(=O)C(C)(C)CC(C)(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide?
The InChIKey is SUDCLASTFSXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(15)11(2,3)8-12(4,5)10(16)13-6-7-14/h14H,6-8H2,1-5H3,(H,13,16).
What are the key properties of N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide?
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide has a molecular weight of 229.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide is sourced from PubChem (CID 166130930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).