2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione

C17H18N2O3 — CID 38146081

IUPAC2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccco1
InChIInChI=1S/C17H18N2O3/c1-18(12-13-6-4-11-22-13)9-5-10-19-16(20)14-7-2-3-8-15(14)17(19)21/h2-4,6-8,11H,5,9-10,12H2,1H3
InChIKeyFLIWUUHISWBFAB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.40
Rot. Bonds6

About 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione

2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione (PubChem CID 38146081) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
PubChem CID38146081
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccco1
InChIInChI=1S/C17H18N2O3/c1-18(12-13-6-4-11-22-13)9-5-10-19-16(20)14-7-2-3-8-15(14)17(19)21/h2-4,6-8,11H,5,9-10,12H2,1H3
InChIKeyFLIWUUHISWBFAB-UHFFFAOYSA-N
XLogP2.40
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363385
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 27739569
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361

Frequently Asked Questions

What is the IUPAC name of 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione (CID 38146081) is 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione is CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccco1.
What is the InChIKey of 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione?
The InChIKey is FLIWUUHISWBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18(12-13-6-4-11-22-13)9-5-10-19-16(20)14-7-2-3-8-15(14)17(19)21/h2-4,6-8,11H,5,9-10,12H2,1H3.
What are the key properties of 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione?
2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione has a molecular weight of 298.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 38146081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).