3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide

C16H14N2O4 — CID 682230

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C16H14N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyKUORBDDPTIGWNG-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.58
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 682230) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID682230
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccco1
InChIInChI=1S/C16H14N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyKUORBDDPTIGWNG-UHFFFAOYSA-N
XLogP1.58
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide (CID 682230) is 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccco1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KUORBDDPTIGWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-14(17-10-11-4-3-9-22-11)7-8-18-15(20)12-5-1-2-6-13(12)16(18)21/h1-6,9H,7-8,10H2,(H,17,19).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 298.30 g/mol, XLogP of 1.58, 5 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-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).