N-tert-butyl-2-hydroxy-3-methylbutanamide

C9H19NO2 — CID 12066046

IUPACN-tert-butyl-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)7(11)8(12)10-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)
InChIKeyNUTPNESSYFLUOB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds2

About N-tert-butyl-2-hydroxy-3-methylbutanamide

N-tert-butyl-2-hydroxy-3-methylbutanamide (PubChem CID 12066046) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-3-methylbutanamide
PubChem CID12066046
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-tert-butyl-2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)7(11)8(12)10-9(3,4)5/h6-7,11H,1-5H3,(H,10,12)
InChIKeyNUTPNESSYFLUOB-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-hydroxy-3-methylbutanamide (CID 12066046) is N-tert-butyl-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-3-methylbutanamide is CC(C)C(O)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-hydroxy-3-methylbutanamide?
The InChIKey is NUTPNESSYFLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)7(11)8(12)10-9(3,4)5/h6-7,11H,1-5H3,(H,10,12).
What are the key properties of N-tert-butyl-2-hydroxy-3-methylbutanamide?
N-tert-butyl-2-hydroxy-3-methylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 12066046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).