2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide

C23H22N2O4 — CID 135426153

IUPAC2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C23H22N2O4/c1-16(17-13-14-20(26)21(15-17)29-2)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26,28H,1-2H3,(H,25,27)/b24-16+
InChIKeyITSNJEXYAPEBOW-LFVJCYFKSA-N
MW390.44 g/mol
LogP3.18
Rot. Bonds6

About 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide (PubChem CID 135426153) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide
PubChem CID135426153
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O
InChIInChI=1S/C23H22N2O4/c1-16(17-13-14-20(26)21(15-17)29-2)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26,28H,1-2H3,(H,25,27)/b24-16+
InChIKeyITSNJEXYAPEBOW-LFVJCYFKSA-N
XLogP3.18
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337182
cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 10935039
4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 22337173
N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-hydroxy-2-phenylacetamide
CID 5340310
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 10946130
(cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
CID 11044358
(cis)-4-(3,4-Dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 10913208
N'-(3-hydroxy-4-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 6868971
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-hydroxy-2,2-diphenylacetohydrazide
CID 6882140
trans-(1R,2R)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7124312
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
3-(3,4-dimethoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 11075802

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide (CID 135426153) is 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide is COc1cc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide?
The InChIKey is ITSNJEXYAPEBOW-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(17-13-14-20(26)21(15-17)29-2)24-25-22(27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,26,28H,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide has a molecular weight of 390.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135426153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).