N-(2,2-dimethylpropyl)-3-hydroxybutanamide

C9H19NO2 — CID 87908757

IUPACN-(2,2-dimethylpropyl)-3-hydroxybutanamide
SMILESCC(O)CC(=O)NCC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-8(12)10-6-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyHDKBSJBFFYEYBL-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-hydroxybutanamide

N-(2,2-dimethylpropyl)-3-hydroxybutanamide (PubChem CID 87908757) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-hydroxybutanamide
PubChem CID87908757
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2,2-dimethylpropyl)-3-hydroxybutanamide
SMILESCC(O)CC(=O)NCC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-8(12)10-6-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyHDKBSJBFFYEYBL-UHFFFAOYSA-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

Analyze N-(2,2-dimethylpropyl)-3-hydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
CID 88943998
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide
CID 126513937
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
potassium 3-hydroxy-N-oxidobutanamide
CID 130127613
(2S)-N-(2,2-dimethylpropyl)-2-(methylamino)propanamide
CID 94523779
N-[6-(2,2-dimethylpropylamino)hexyl]-3-methylbutanamide
CID 134441338
N-(2,2-dimethylpropyl)-3-oxohexanamide
CID 174880292
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-hydroxybutanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-hydroxybutanamide (CID 87908757) is N-(2,2-dimethylpropyl)-3-hydroxybutanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-hydroxybutanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-hydroxybutanamide is CC(O)CC(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-hydroxybutanamide?
The InChIKey is HDKBSJBFFYEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)5-8(12)10-6-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(2,2-dimethylpropyl)-3-hydroxybutanamide?
N-(2,2-dimethylpropyl)-3-hydroxybutanamide 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-(2,2-dimethylpropyl)-3-hydroxybutanamide is sourced from PubChem (CID 87908757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).