3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide

C10H20ClNO2 — CID 79249535

IUPAC3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-7(2)8(5-13)12-9(14)10(3,4)6-11/h7-8,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyNBXJRNNARUAEFQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.38
Rot. Bonds5

About 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide

3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide (PubChem CID 79249535) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
PubChem CID79249535
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H20ClNO2/c1-7(2)8(5-13)12-9(14)10(3,4)6-11/h7-8,13H,5-6H2,1-4H3,(H,12,14)
InChIKeyNBXJRNNARUAEFQ-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
CID 82945442
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190
3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63678646
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79252985
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide (CID 79249535) is 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide is CC(C)C(CO)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is NBXJRNNARUAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-7(2)8(5-13)12-9(14)10(3,4)6-11/h7-8,13H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 221.73 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 79249535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).