N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide

C10H21NO2 — CID 162400327

IUPACN-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-8(12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyMRWPWXUWNGLGBE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.51
Rot. Bonds3

About N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide

N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide (PubChem CID 162400327) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide
PubChem CID162400327
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)6-8(12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyMRWPWXUWNGLGBE-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Xylariamide
CID 102222778
n-Ethyl-2,2-bis(hydroxymethyl)butanamide
CID 247464
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
N-[(1S)-1-(Hydroxymethyl)-2-methylpropyl]-2,2-dimethylpropanamide
CID 15312837
(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 139253868
N-(1-hydroxy-3-methylbutyl)acetamide
CID 162400179
3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106455
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
CID 66107979
3,3,3-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825302
2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 109928375
N-(2-fluoro-3-hydroxypropyl)-2-methylbutanamide
CID 156795173

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide (CID 162400327) is N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide is CC(C)CC(O)NC(=O)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide?
The InChIKey is MRWPWXUWNGLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)6-8(12)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13).
What are the key properties of N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide?
N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 162400327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).