(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

C18H26N2O3 — CID 129490780

IUPAC(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@H](CO)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H26N2O3/c1-11(2)15(10-21)19-17(22)16(12(3)4)20-9-13-7-5-6-8-14(13)18(20)23/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyQETDQQUJDFTWDG-HOTGVXAUSA-N
MW318.42 g/mol
LogP1.80
Rot. Bonds6

About (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide

(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (PubChem CID 129490780) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
PubChem CID129490780
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
SMILESCC(C)[C@H](CO)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H26N2O3/c1-11(2)15(10-21)19-17(22)16(12(3)4)20-9-13-7-5-6-8-14(13)18(20)23/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyQETDQQUJDFTWDG-HOTGVXAUSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide with MolForge

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Related Compounds

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 91823111
(2S,3S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 124864895
(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 100906507
(2R,3S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 99997019
3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20905682
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(2-pyridin-2-ylethyl)butanamide
CID 71829770
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-pyridin-3-ylbutanamide
CID 29131248
(2R)-N-(3-fluorophenyl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688661
(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-(3-propanoylphenyl)butanamide
CID 146107614
(2R)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266909
2-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-3H-isoindol-1-one
CID 20905674
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The IUPAC name of (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide (CID 129490780) is (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide.
What is the SMILES notation for (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The canonical SMILES for (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is CC(C)[C@H](CO)NC(=O)[C@H](C(C)C)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
The InChIKey is QETDQQUJDFTWDG-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)15(10-21)19-17(22)16(12(3)4)20-9-13-7-5-6-8-14(13)18(20)23/h5-8,11-12,15-16,21H,9-10H2,1-4H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide?
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide is sourced from PubChem (CID 129490780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).