2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide

C22H20N2O5 — CID 135411294

IUPAC2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C22H20N2O5/c1-14-13-18(25)19(20(26)29-14)15(2)23-24-21(27)22(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,25,28H,1-2H3,(H,24,27)/b23-15+
InChIKeyRQUKSCRBZKQXFP-HZHRSRAPSA-N
MW392.41 g/mol
LogP2.43
Rot. Bonds5

About 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide (PubChem CID 135411294) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide
PubChem CID135411294
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide
SMILESC/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C22H20N2O5/c1-14-13-18(25)19(20(26)29-14)15(2)23-24-21(27)22(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,25,28H,1-2H3,(H,24,27)/b23-15+
InChIKeyRQUKSCRBZKQXFP-HZHRSRAPSA-N
XLogP2.43
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-3-phenylpropanamide
CID 135464797
2-fluoro-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135496457
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzamide
CID 135685410
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135411299
4-hydroxy-N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135458602
N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2-nitrobenzamide
CID 135400720
N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]cyclopropanecarboxamide
CID 136672399
5-[(2E)-2-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylidene]hydrazinyl]-5-oxopentanoic acid
CID 135636308
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135607776
N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 135679501
2-hydroxy-N-[1-(3-methylphenyl)ethylideneamino]-2,2-diphenylacetamide
CID 3337584
4-tert-butyl-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135647807

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide (CID 135411294) is 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide is C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1c(O)cc(C)oc1=O.
What is the InChIKey of 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide?
The InChIKey is RQUKSCRBZKQXFP-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-14-13-18(25)19(20(26)29-14)15(2)23-24-21(27)22(28,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,25,28H,1-2H3,(H,24,27)/b23-15+.
What are the key properties of 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide has a molecular weight of 392.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135411294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).