(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide

C23H20N2O3 — CID 135737287

IUPAC(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)C[C@H](c2ccco2)C/C1=N\c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-20-15-16(21-12-7-13-28-21)14-19(24-17-8-3-1-4-9-17)22(20)23(27)25-18-10-5-2-6-11-18/h1-13,16,26H,14-15H2,(H,25,27)/b24-19+/t16-/m1/s1
InChIKeySHIFJGLSWZNESQ-KGWRKDBXSA-N
MW372.42 g/mol
LogP5.38
Rot. Bonds4

About (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide

(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide (PubChem CID 135737287) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide
PubChem CID135737287
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide
SMILESO=C(Nc1ccccc1)C1=C(O)C[C@H](c2ccco2)C/C1=N\c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-20-15-16(21-12-7-13-28-21)14-19(24-17-8-3-1-4-9-17)22(20)23(27)25-18-10-5-2-6-11-18/h1-13,16,26H,14-15H2,(H,25,27)/b24-19+/t16-/m1/s1
InChIKeySHIFJGLSWZNESQ-KGWRKDBXSA-N
XLogP5.38
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide?
The IUPAC name of (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide (CID 135737287) is (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide.
What is the SMILES notation for (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide?
The canonical SMILES for (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide is O=C(Nc1ccccc1)C1=C(O)C[C@H](c2ccco2)C/C1=N\c1ccccc1.
What is the InChIKey of (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide?
The InChIKey is SHIFJGLSWZNESQ-KGWRKDBXSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-20-15-16(21-12-7-13-28-21)14-19(24-17-8-3-1-4-9-17)22(20)23(27)25-18-10-5-2-6-11-18/h1-13,16,26H,14-15H2,(H,25,27)/b24-19+/t16-/m1/s1.
What are the key properties of (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide?
(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide is sourced from PubChem (CID 135737287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).