N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C17H22N2O3 — CID 110002043

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC(C)(CC)CCO
InChIInChI=1S/C17H22N2O3/c1-4-17(3,9-10-20)18-15(21)11-19-12(2)13-7-5-6-8-14(13)16(19)22/h5-8,20H,2,4,9-11H2,1,3H3,(H,18,21)
InChIKeyUQDPTMQGPFCANG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.78
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 110002043) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID110002043
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC(C)(CC)CCO
InChIInChI=1S/C17H22N2O3/c1-4-17(3,9-10-20)18-15(21)11-19-12(2)13-7-5-6-8-14(13)16(19)22/h5-8,20H,2,4,9-11H2,1,3H3,(H,18,21)
InChIKeyUQDPTMQGPFCANG-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 110002443
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851
2-(1,3-dioxoisoindol-2-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 9017592
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-phenylphenyl)acetamide
CID 17419674
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103946026
N-ethyl-4-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]benzamide
CID 55802247
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)acetamide
CID 12678095
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18135714
2-(5-hydroxypentyl)-3-methylideneisoindol-1-one
CID 107319609
N-[1-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18135586
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 55495065

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 110002043) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NC(C)(CC)CCO.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is UQDPTMQGPFCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-17(3,9-10-20)18-15(21)11-19-12(2)13-7-5-6-8-14(13)16(19)22/h5-8,20H,2,4,9-11H2,1,3H3,(H,18,21).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110002043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).