4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

C20H20N2O4 — CID 1164668

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-4-3-11-26-15)13-7-9-14(10-8-13)22-19(24)16-5-1-2-6-17(16)20(22)25/h1-6,11,13-14H,7-10,12H2,(H,21,23)
InChIKeyOEIZFOSJHYBFGN-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.75
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide

4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 1164668) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID1164668
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-4-3-11-26-15)13-7-9-14(10-8-13)22-19(24)16-5-1-2-6-17(16)20(22)25/h1-6,11,13-14H,7-10,12H2,(H,21,23)
InChIKeyOEIZFOSJHYBFGN-UHFFFAOYSA-N
XLogP2.75
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.75
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 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide (CID 1164668) is 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1ccco1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is OEIZFOSJHYBFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-12-15-4-3-11-26-15)13-7-9-14(10-8-13)22-19(24)16-5-1-2-6-17(16)20(22)25/h1-6,11,13-14H,7-10,12H2,(H,21,23).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide?
4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 1164668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).