N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide

C9H17NO2 — CID 124703816

IUPACN-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(CO)C(=O)NC1CCC1
InChIInChI=1S/C9H17NO2/c1-9(2,6-11)8(12)10-7-4-3-5-7/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyREKXHFJYEUTRQL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.67
Rot. Bonds3

About N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide

N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 124703816) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide
PubChem CID124703816
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(CO)C(=O)NC1CCC1
InChIInChI=1S/C9H17NO2/c1-9(2,6-11)8(12)10-7-4-3-5-7/h7,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyREKXHFJYEUTRQL-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide (CID 124703816) is N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide is CC(C)(CO)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide?
The InChIKey is REKXHFJYEUTRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,6-11)8(12)10-7-4-3-5-7/h7,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide?
N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 171.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 124703816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).