N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide

C12H12N2O3 — CID 12815728

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)13(2)7-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-6H,7H2,1-2H3
InChIKeyZWWJPFBEIKBSOT-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.72
Rot. Bonds2

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide (PubChem CID 12815728) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
PubChem CID12815728
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O3/c1-8(15)13(2)7-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-6H,7H2,1-2H3
InChIKeyZWWJPFBEIKBSOT-UHFFFAOYSA-N
XLogP0.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl-methylamino]propanoic acid
CID 60987323
carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
CID 170984962
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
N-[4-[acetyl(methyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2905131
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]isoindole-1,3-dione
CID 79390707
2-[3-(dimethylamino)-2-oxobutyl]isoindole-1,3-dione;ethene
CID 21497616

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide (CID 12815728) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide is CC(=O)N(C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide?
The InChIKey is ZWWJPFBEIKBSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)13(2)7-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-6H,7H2,1-2H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide has a molecular weight of 232.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 12815728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).