2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C20H26N2O3 — CID 135613664

IUPAC2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C20H26N2O3/c1-25-17-4-2-3-16(19(17)24)12-21-22-18(23)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,12-15,24H,5-11H2,1H3,(H,22,23)/b21-12+
InChIKeyBWPABECGXAJDJJ-CIAFOILYSA-N
MW342.44 g/mol
LogP3.46
Rot. Bonds5

About 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135613664) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135613664
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1O
InChIInChI=1S/C20H26N2O3/c1-25-17-4-2-3-16(19(17)24)12-21-22-18(23)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,12-15,24H,5-11H2,1H3,(H,22,23)/b21-12+
InChIKeyBWPABECGXAJDJJ-CIAFOILYSA-N
XLogP3.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
3-(3,4-dihydroxyphenyl)-N'-(2,5-dimethoxybenzylidene)propanohydrazide
CID 9563544
N''-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]adamantane-1-carbohydrazide
CID 135401307
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
CID 135438957
N'-(4-hydroxy-3-methoxybenzylidene)-3-phenylpropanohydrazide
CID 135472425
N'-(2-hydroxy-3-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 135490325
N'-(4-hydroxy-3-methoxybenzylidene)-9H-xanthene-9-carbohydrazide
CID 135510990
N-({N'-[(E)-(2-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135549586
N'-(4-Hydroxy-3-methoxybenzylidene)hexadecanohydrazide
CID 136499958
(Z)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]octadec-9-enamide
CID 145982880

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135613664) is 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1O.
What is the InChIKey of 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is BWPABECGXAJDJJ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-17-4-2-3-16(19(17)24)12-21-22-18(23)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,12-15,24H,5-11H2,1H3,(H,22,23)/b21-12+.
What are the key properties of 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135613664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).