N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C10H12N2O3 — CID 135491260

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(C)=O)ccc1O
InChIInChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2/h3-6,14H,1-2H3,(H,12,13)/b11-6+
InChIKeyVZONUUGRJLXLJI-IZZDOVSWSA-N
MW208.22 g/mol
LogP0.87
Rot. Bonds3

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135491260) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135491260
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(C)=O)ccc1O
InChIInChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2/h3-6,14H,1-2H3,(H,12,13)/b11-6+
InChIKeyVZONUUGRJLXLJI-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_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

1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
2-(4-acetamidophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135528703
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-[(E)-[4-[4-[4-[(E)-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoylhydrazinylidene]methyl]-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methylideneamino]urea
CID 177462924
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 682276

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135491260) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(C)=O)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VZONUUGRJLXLJI-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2/h3-6,14H,1-2H3,(H,12,13)/b11-6+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
N-[(E)-(4-hydroxy-3-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)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135491260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).