N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide

C10H21NO2 — CID 12518936

IUPACN-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7(12)8(13)11-10(4,5)6/h7,12H,1-6H3,(H,11,13)
InChIKeyHVEQNWKEBFQHMJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds1

About N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide

N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide (PubChem CID 12518936) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
PubChem CID12518936
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-tert-butyl-2-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(C)NC(=O)C(O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-9(2,3)7(12)8(13)11-10(4,5)6/h7,12H,1-6H3,(H,11,13)
InChIKeyHVEQNWKEBFQHMJ-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
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-3,3-dimethylbutanamide?
The IUPAC name of N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide (CID 12518936) is N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide is CC(C)(C)NC(=O)C(O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide?
The InChIKey is HVEQNWKEBFQHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,3)7(12)8(13)11-10(4,5)6/h7,12H,1-6H3,(H,11,13).
What are the key properties of N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide?
N-tert-butyl-2-hydroxy-3,3-dimethylbutanamide has a molecular weight of 187.28 g/mol, XLogP of 1.31, 1 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-3,3-dimethylbutanamide is sourced from PubChem (CID 12518936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).