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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Related Compounds

4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(furan-2-ylmethyl)butanamide
CID 2870264
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
Furan-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10938777
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655
2-ethyl-N-(2-furylmethyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4367205
N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]furan-2-carboxamide
CID 18106531
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(furan-2-yl)ethyl)-3-fluorobenzamide
CID 18577580
Terephthalamide, N,N'-difurfuryl-
CID 272218
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 664218

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).