N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide

C12H12N2O3 — CID 70491121

IUPACN-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O3/c1-7(13-8(2)15)14-11(16)9-5-3-4-6-10(9)12(14)17/h3-7H,1-2H3,(H,13,15)
InChIKeySKCJEIRTEJTSNX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.76
Rot. Bonds2

About N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide

N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide (PubChem CID 70491121) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
PubChem CID70491121
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O3/c1-7(13-8(2)15)14-11(16)9-5-3-4-6-10(9)12(14)17/h3-7H,1-2H3,(H,13,15)
InChIKeySKCJEIRTEJTSNX-UHFFFAOYSA-N
XLogP0.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.76
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

N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259042
CID 163871249
CID 163871249
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
methyl (2S,4S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-3-oxopentanoate
CID 100964209
(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
CID 46895638

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide (CID 70491121) is N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide is CC(=O)NC(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide?
The InChIKey is SKCJEIRTEJTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7(13-8(2)15)14-11(16)9-5-3-4-6-10(9)12(14)17/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide?
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide has a molecular weight of 232.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide is sourced from PubChem (CID 70491121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).