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

C10H14N2O4 — CID 139077381

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate
SMILESCOc1cc(/C=N/NC(C)=O)ccc1O.O
InChIInChI=1S/C10H12N2O3.H2O/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2;/h3-6,14H,1-2H3,(H,12,13);1H2/b11-6+;
InChIKeyDRACKCJAQMIMEE-ICSBZGNSSA-N
MW226.23 g/mol
LogP0.05
Rot. Bonds3

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

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate (PubChem CID 139077381) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate
PubChem CID139077381
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate
SMILESCOc1cc(/C=N/NC(C)=O)ccc1O.O
InChIInChI=1S/C10H12N2O3.H2O/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2;/h3-6,14H,1-2H3,(H,12,13);1H2/b11-6+;
InChIKeyDRACKCJAQMIMEE-ICSBZGNSSA-N
XLogP0.05
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.05
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'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
2-Methoxy-4-[(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazonomethyl]-phenol
CID 135576363
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
(C(E))-4-Hydroxy-3-methoxybenzaldehyde oxime
CID 135431232
Tyrosinase-IN-1
CID 137138791
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237184
N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate (CID 139077381) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate is COc1cc(/C=N/NC(C)=O)ccc1O.O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate?
The InChIKey is DRACKCJAQMIMEE-ICSBZGNSSA-N. The full InChI is InChI=1S/C10H12N2O3.H2O/c1-7(13)12-11-6-8-3-4-9(14)10(5-8)15-2;/h3-6,14H,1-2H3,(H,12,13);1H2/b11-6+;.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide;hydrate has a molecular weight of 226.23 g/mol, XLogP of 0.05, 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;hydrate is sourced from PubChem (CID 139077381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).