N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C23H21N3O4 — CID 135419713

IUPACN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C23H21N3O4/c27-19-12-11-18(20(28)13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,27-28H,15H2,(H,24,30)(H,26,29)/b25-14+
InChIKeyAHMIALFFIMLXQD-AFUMVMLFSA-N
MW403.44 g/mol
LogP2.50
Rot. Bonds7

About N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 135419713) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID135419713
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C23H21N3O4/c27-19-12-11-18(20(28)13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,27-28H,15H2,(H,24,30)(H,26,29)/b25-14+
InChIKeyAHMIALFFIMLXQD-AFUMVMLFSA-N
XLogP2.50
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 5613985
N-[1-(2,4-Dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135650458
N-{6-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-oxohexyl}benzamide
CID 135517038
(Z)-N-[2-oxidanylidene-2-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]ethyl]-3-phenyl-prop-2-enamide
CID 135549626
N'-(2,4-dihydroxybenzylidene)-2-phenylacetohydrazide
CID 135478301
(E)-N-(2-(2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)-2,2-diphenylacetamide
CID 9636849
3-(4-hydroxyphenyl)-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]propanamide
CID 136167958
N-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 6887729
N-(2-(2-(2,4-Dihydroxybenzylidene)hydrazino)-2-oxoethyl)tetradecanamide
CID 136499976
N-(2-(2-(2,4-Dihydroxybenzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide
CID 136611990
N-(2-(2-(2,4-Dihydroxybenzylidene)hydrazino)-2-oxoethyl)-4-methylbenzamide
CID 136806698
N'-(2,4-Dihydroxybenzylidene)-4-phenylbutanohydrazide
CID 135472383

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 135419713) is N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is AHMIALFFIMLXQD-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-19-12-11-18(20(28)13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,27-28H,15H2,(H,24,30)(H,26,29)/b25-14+.
What are the key properties of N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 403.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 135419713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).