N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide

C9H19NO2 — CID 62677681

IUPACN-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CO
InChIInChI=1S/C9H19NO2/c1-5-9(3,4)8(12)10-7(2)6-11/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyDWWDRSRJSTYCJM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide

N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide (PubChem CID 62677681) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
PubChem CID62677681
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CO
InChIInChI=1S/C9H19NO2/c1-5-9(3,4)8(12)10-7(2)6-11/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyDWWDRSRJSTYCJM-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
CID 146339486
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
CID 126988442
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
CID 107218704
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
2-(tert-butylamino)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 107218468

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide (CID 62677681) is N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is DWWDRSRJSTYCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-9(3,4)8(12)10-7(2)6-11/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide?
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62677681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).