N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C21H21N3O3 — CID 5337355

IUPACN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H21N3O3/c1-24(2)19-14-13-18(27-19)15-22-23-20(25)21(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,1-2H3,(H,23,25)/b22-15+
InChIKeyPPUHUSCGXXVWIA-PXLXIMEGSA-N
MW363.42 g/mol
LogP2.73
Rot. Bonds6

About N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 5337355) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID5337355
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H21N3O3/c1-24(2)19-14-13-18(27-19)15-22-23-20(25)21(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,1-2H3,(H,23,25)/b22-15+
InChIKeyPPUHUSCGXXVWIA-PXLXIMEGSA-N
XLogP2.73
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 5337355) is N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is CN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is PPUHUSCGXXVWIA-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(2)19-14-13-18(27-19)15-22-23-20(25)21(26,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,26H,1-2H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 363.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(dimethylamino)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 5337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).