N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide

C10H21NO2 — CID 39086823

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(6-12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
InChIKeyLXRJUHGCEVXAFC-QMMMGPOBSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds3

About N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 39086823) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
PubChem CID39086823
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@H](CO)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)8(6-12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
InChIKeyLXRJUHGCEVXAFC-QMMMGPOBSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide (CID 39086823) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide is CC(C)[C@H](CO)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LXRJUHGCEVXAFC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)8(6-12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 39086823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).