N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide

C10H21NO2 — CID 115734890

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
SMILESCC(CO)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-12)8(2)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyQSLBPEBXLNSNRF-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.17
Rot. Bonds3

About N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide

N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide (PubChem CID 115734890) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
PubChem CID115734890
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
SMILESCC(CO)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-12)8(2)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)
InChIKeyQSLBPEBXLNSNRF-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 114329161
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
(2S)-2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 104865654
2-(4-chlorophenyl)sulfonyl-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 125143096
(2R)-2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-3-hydroxypropanoic acid
CID 80750475
N-(4-hydroxy-3-methylbutan-2-yl)-3-methylpentanamide
CID 114875462
N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide
CID 166894051
N-(4-chlorobutan-2-yl)-2,2-dimethylpropanamide
CID 83178433
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115770752
1-cyclopropyl-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 115643204
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide (CID 115734890) is N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide is CC(CO)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is QSLBPEBXLNSNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-12)8(2)11-9(13)10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115734890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).