N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide

C17H16N2O5 — CID 2974655

IUPACN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
InChIInChI=1S/C17H16N2O5/c1-23-8-6-19-16(21)13-5-4-11(9-14(13)17(19)22)15(20)18-10-12-3-2-7-24-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)
InChIKeyKPDGSBQSRDEADD-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.45
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide

N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2974655) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2974655
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
InChIInChI=1S/C17H16N2O5/c1-23-8-6-19-16(21)13-5-4-11(9-14(13)17(19)22)15(20)18-10-12-3-2-7-24-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,20)
InChIKeyKPDGSBQSRDEADD-UHFFFAOYSA-N
XLogP1.45
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide (CID 2974655) is N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide is COCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KPDGSBQSRDEADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-8-6-19-16(21)13-5-4-11(9-14(13)17(19)22)15(20)18-10-12-3-2-7-24-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide?
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2974655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).