5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one

C23H25NO4 — CID 165363421

IUPAC5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
SMILESCCCC(=NOCC)C1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O
InChIInChI=1S/C23H25NO4/c1-3-11-19(24-27-4-2)21-20(25)16-23(28-22(21)26,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,25H,3-4,11,16H2,1-2H3
InChIKeyYYCUQMMHXAPIPV-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.88
Rot. Bonds7

About 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one

5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one (PubChem CID 165363421) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one.

Molecular Properties

Compound Name5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
PubChem CID165363421
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one
SMILESCCCC(=NOCC)C1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O
InChIInChI=1S/C23H25NO4/c1-3-11-19(24-27-4-2)21-20(25)16-23(28-22(21)26,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,25H,3-4,11,16H2,1-2H3
InChIKeyYYCUQMMHXAPIPV-UHFFFAOYSA-N
XLogP4.88
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one 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 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The IUPAC name of 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one (CID 165363421) is 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one.
What is the SMILES notation for 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The canonical SMILES for 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one is CCCC(=NOCC)C1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O.
What is the InChIKey of 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
The InChIKey is YYCUQMMHXAPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-11-19(24-27-4-2)21-20(25)16-23(28-22(21)26,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h5-10,12-15,25H,3-4,11,16H2,1-2H3.
What are the key properties of 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one?
5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one has a molecular weight of 379.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethoxy-C-propylcarbonimidoyl)-4-hydroxy-2,2-diphenyl-3H-pyran-6-one is sourced from PubChem (CID 165363421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).