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

C20H20N2O4 — CID 1289087

IUPAC2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23)
InChIKeyIIVQPMWQDFKMIW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.14
Rot. Bonds4

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

2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1289087) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1289087
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C20H20N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23)
InChIKeyIIVQPMWQDFKMIW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
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-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 1289087) is 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IIVQPMWQDFKMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-12-15-7-4-10-26-15)13-8-9-16-17(11-13)20(25)22(19(16)24)14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23).
What are the key properties of 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1289087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).