4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide

C11H21NO3 — CID 170404242

IUPAC4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
SMILESCC(=O)C(CC(C)C)NC(=O)CCCO
InChIInChI=1S/C11H21NO3/c1-8(2)7-10(9(3)14)12-11(15)5-4-6-13/h8,10,13H,4-7H2,1-3H3,(H,12,15)
InChIKeyBLHZNSGAFQYWBR-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.88
Rot. Bonds7

About 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide

4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide (PubChem CID 170404242) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
PubChem CID170404242
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
SMILESCC(=O)C(CC(C)C)NC(=O)CCCO
InChIInChI=1S/C11H21NO3/c1-8(2)7-10(9(3)14)12-11(15)5-4-6-13/h8,10,13H,4-7H2,1-3H3,(H,12,15)
InChIKeyBLHZNSGAFQYWBR-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-oxohexan-3-yl)pentanamide
CID 123525185
(7Z,10Z,13Z,16Z,19Z)-N-(5-methyl-2-oxohexan-3-yl)docosa-7,10,13,16,19-pentaenamide
CID 129181068
(2S)-2-[[(Z)-18-hydroxyoctadec-9-enoyl]amino]-4-methylpentanoic acid
CID 172875087
(2R)-2-(4-hydroxybutanoylamino)butanamide
CID 167531373
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
methyl N-(5-methyl-2-oxohexan-3-yl)carbamate
CID 76748029
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
methyl (2S)-4-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 113358137
(2S)-4-methyl-2-[6-(propanoylamino)hexanoylamino]pentanamide
CID 167209881
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide (CID 170404242) is 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide is CC(=O)C(CC(C)C)NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide?
The InChIKey is BLHZNSGAFQYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)7-10(9(3)14)12-11(15)5-4-6-13/h8,10,13H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide?
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide has a molecular weight of 215.29 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide is sourced from PubChem (CID 170404242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).