3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide

C19H18N2O3 — CID 168517550

IUPAC3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-20(2)17(22)12-11-13-7-3-6-10-16(13)21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3
InChIKeyMTPDLFUNZUMIDA-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide

3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide (PubChem CID 168517550) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide
PubChem CID168517550
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H18N2O3/c1-20(2)17(22)12-11-13-7-3-6-10-16(13)21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3
InChIKeyMTPDLFUNZUMIDA-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.51
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-[2-(1,3-dioxoisoindol-2-yl)phenyl]propanoic acid
CID 70566223
2-(2-hexylphenyl)isoindole-1,3-dione
CID 10638446
2-[2-(2-pyridin-2-ylethyl)phenyl]isoindole-1,3-dione
CID 168516332
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
2-(2,3-diethylphenyl)isoindole-1,3-dione
CID 67993045
5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
CID 86154964
N,N-dimethyl-3-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]phenyl]propanamide
CID 70711455
2-(2-ethylphenyl)-5-fluoroisoindole-1,3-dione
CID 70261734
2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
2-[2-(N-methylanilino)oxyphenyl]isoindole-1,3-dione
CID 87452515
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
3-[2-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylpropanamide
CID 169367026

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide (CID 168517550) is 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide?
The InChIKey is MTPDLFUNZUMIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-20(2)17(22)12-11-13-7-3-6-10-16(13)21-18(23)14-8-4-5-9-15(14)19(21)24/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide?
3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide has a molecular weight of 322.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 168517550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).