2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide

C14H16N2O3 — CID 2787083

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyOINSGHOKXMCVLR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.05
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 2787083) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID2787083
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyOINSGHOKXMCVLR-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (CID 2787083) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is OINSGHOKXMCVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2787083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).