N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

C10H12N2O3 — CID 135988210

IUPACN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(C)=O)c(O)c1
InChIInChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(15-2)5-10(8)14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
InChIKeyWSMWKCRWUOUDLJ-IZZDOVSWSA-N
MW208.22 g/mol
LogP0.87
Rot. Bonds3

About N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135988210) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID135988210
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(C)=O)c(O)c1
InChIInChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(15-2)5-10(8)14/h3-6,14H,1-2H3,(H,12,13)/b11-6+
InChIKeyWSMWKCRWUOUDLJ-IZZDOVSWSA-N
XLogP0.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.87
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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
2-hydroxy-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 9563156
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine;hydrochloride
CID 16239597
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
N'~1~,N'~2~-bis(2,4-dihydroxybenzylidene)ethanedihydrazide
CID 135576680
N'-(2,4-dihydroxybenzylidene)cyclopropanecarbohydrazide
CID 135643065
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
(Z)-N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135549592
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
N'-[(E)-(2,4-diethoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 25237216
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 9662629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (CID 135988210) is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(C)=O)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is WSMWKCRWUOUDLJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(15-2)5-10(8)14/h3-6,14H,1-2H3,(H,12,13)/b11-6+.
What are the key properties of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 208.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135988210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).