N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide

C9H19NO2 — CID 57328058

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
SMILESCC[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(6-11)10-8(12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyCJDSQIYBQOGFLY-SSDOTTSWSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds3

About N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 57328058) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
PubChem CID57328058
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
SMILESCC[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(6-11)10-8(12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1
InChIKeyCJDSQIYBQOGFLY-SSDOTTSWSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide (CID 57328058) is N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide is CC[C@H](CO)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CJDSQIYBQOGFLY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(6-11)10-8(12)9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 57328058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).