(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide

C9H19NO2 — CID 143641934

IUPAC(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
SMILESC[C@H](C(=O)NCCO)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(9(2,3)4)8(12)10-5-6-11/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyLWUUMJIUBOSSTR-SSDOTTSWSA-N
MW173.26 g/mol
LogP0.78
Rot. Bonds3

About (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide

(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide (PubChem CID 143641934) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
PubChem CID143641934
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
SMILESC[C@H](C(=O)NCCO)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(9(2,3)4)8(12)10-5-6-11/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyLWUUMJIUBOSSTR-SSDOTTSWSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-2,3-dimethyl-2-isopropylbutanamide
CID 22182807
N-(2-hydroxyethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11183050
Xylariamide
CID 102222778
N-(2-hydroxypropyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424187
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
CID 43501033
N-(2-hydroxyethyl) isovaleramide
CID 23588480
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
N-[(1S)-1-(Hydroxymethyl)-2-methylpropyl]-2,2-dimethylpropanamide
CID 15312837
N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide
CID 162400327
3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103723236
2,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726241
2,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726292

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide?
The IUPAC name of (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide (CID 143641934) is (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide is C[C@H](C(=O)NCCO)C(C)(C)C.
What is the InChIKey of (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide?
The InChIKey is LWUUMJIUBOSSTR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(9(2,3)4)8(12)10-5-6-11/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide?
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide is sourced from PubChem (CID 143641934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).