3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide

C12H12N2O4 — CID 51074410

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
SMILESCONC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O4/c1-18-13-10(15)6-7-14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyDMKRABBTXAHDIJ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.35
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide

3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide (PubChem CID 51074410) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
PubChem CID51074410
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
SMILESCONC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12N2O4/c1-18-13-10(15)6-7-14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5H,6-7H2,1H3,(H,13,15)
InChIKeyDMKRABBTXAHDIJ-UHFFFAOYSA-N
XLogP0.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,6-dimethoxybenzamide
CID 108538742
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
methyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-2-carboxylate
CID 17413995
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
methyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110798783

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide (CID 51074410) is 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide is CONC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide?
The InChIKey is DMKRABBTXAHDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-13-10(15)6-7-14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide?
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide has a molecular weight of 248.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide is sourced from PubChem (CID 51074410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).