2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide

C12H24N2O3 — CID 79252016

IUPAC2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC(CO)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)10(6-15)14-12(17)11(8(3)4)13-9(5)16/h7-8,10-11,15H,6H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyMUTMKGSZKQIIKT-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

About 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide

2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide (PubChem CID 79252016) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
PubChem CID79252016
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC(CO)C(C)C)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)10(6-15)14-12(17)11(8(3)4)13-9(5)16/h7-8,10-11,15H,6H2,1-5H3,(H,13,16)(H,14,17)
InChIKeyMUTMKGSZKQIIKT-UHFFFAOYSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252281
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79248858
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
2,2-difluoro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 103513963
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 75440136
2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
CID 78784334
(2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(113C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid
CID 117064517
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 54018653

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide (CID 79252016) is 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide is CC(=O)NC(C(=O)NC(CO)C(C)C)C(C)C.
What is the InChIKey of 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
The InChIKey is MUTMKGSZKQIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)10(6-15)14-12(17)11(8(3)4)13-9(5)16/h7-8,10-11,15H,6H2,1-5H3,(H,13,16)(H,14,17).
What are the key properties of 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide?
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 79252016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).