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

C22H18N2O4 — CID 2787068

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O4/c25-20(23-14-16-9-6-12-28-16)19(13-15-7-2-1-3-8-15)24-21(26)17-10-4-5-11-18(17)22(24)27/h1-12,19H,13-14H2,(H,23,25)
InChIKeyGEQAIBVXKAXREQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.80
Rot. Bonds6

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

2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 2787068) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
PubChem CID2787068
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H18N2O4/c25-20(23-14-16-9-6-12-28-16)19(13-15-7-2-1-3-8-15)24-21(26)17-10-4-5-11-18(17)22(24)27/h1-12,19H,13-14H2,(H,23,25)
InChIKeyGEQAIBVXKAXREQ-UHFFFAOYSA-N
XLogP2.80
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.80
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 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide (CID 2787068) is 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide is O=C(NCc1ccco1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is GEQAIBVXKAXREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-20(23-14-16-9-6-12-28-16)19(13-15-7-2-1-3-8-15)24-21(26)17-10-4-5-11-18(17)22(24)27/h1-12,19H,13-14H2,(H,23,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 374.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 2787068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).