2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide

C21H20N2O3 — CID 7240954

IUPAC2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C21H20N2O3/c1-15-13-14-19(26-15)16(2)22-23-20(24)21(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,1-2H3,(H,23,24)/b22-16+
InChIKeyYTBLYGPMWHHOSA-CJLVFECKSA-N
MW348.40 g/mol
LogP3.36
Rot. Bonds5

About 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide (PubChem CID 7240954) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide
PubChem CID7240954
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C21H20N2O3/c1-15-13-14-19(26-15)16(2)22-23-20(24)21(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,1-2H3,(H,23,24)/b22-16+
InChIKeyYTBLYGPMWHHOSA-CJLVFECKSA-N
XLogP3.36
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide (CID 7240954) is 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide is C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)o1.
What is the InChIKey of 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide?
The InChIKey is YTBLYGPMWHHOSA-CJLVFECKSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-13-14-19(26-15)16(2)22-23-20(24)21(25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,25H,1-2H3,(H,23,24)/b22-16+.
What are the key properties of 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide has a molecular weight of 348.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 7240954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).