2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

C18H20N2O4 — CID 22585725

IUPAC2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C18H20N2O4/c1-23-10-5-9-19-17(21)16-14-7-2-3-8-15(14)18(22)20(16)12-13-6-4-11-24-13/h2-4,6-8,11,16H,5,9-10,12H2,1H3,(H,19,21)
InChIKeyXMJWYJBCZWMXMP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.13
Rot. Bonds7

About 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 22585725) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID22585725
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccco1
InChIInChI=1S/C18H20N2O4/c1-23-10-5-9-19-17(21)16-14-7-2-3-8-15(14)18(22)20(16)12-13-6-4-11-24-13/h2-4,6-8,11,16H,5,9-10,12H2,1H3,(H,19,21)
InChIKeyXMJWYJBCZWMXMP-UHFFFAOYSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide (CID 22585725) is 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide is COCCCNC(=O)C1c2ccccc2C(=O)N1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is XMJWYJBCZWMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-10-5-9-19-17(21)16-14-7-2-3-8-15(14)18(22)20(16)12-13-6-4-11-24-13/h2-4,6-8,11,16H,5,9-10,12H2,1H3,(H,19,21).
What are the key properties of 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide?
2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 22585725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).