N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide

C9H19NO2 — CID 79291805

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)10(5)6-9(3,4)12/h7,12H,6H2,1-5H3
InChIKeyNATVWBPDTXXCKQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide (PubChem CID 79291805) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide
PubChem CID79291805
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H19NO2/c1-7(2)8(11)10(5)6-9(3,4)12/h7,12H,6H2,1-5H3
InChIKeyNATVWBPDTXXCKQ-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide (CID 79291805) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide?
The InChIKey is NATVWBPDTXXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)8(11)10(5)6-9(3,4)12/h7,12H,6H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 79291805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).