N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

C19H21N3O5 — CID 135648074

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)COc2cccc(C)c2)c1O
InChIInChI=1S/C19H21N3O5/c1-13-5-3-7-15(9-13)27-12-18(24)20-11-17(23)22-21-10-14-6-4-8-16(26-2)19(14)25/h3-10,25H,11-12H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKeyWGTWBTZUMHHRGU-UFFVCSGVSA-N
MW371.39 g/mol
LogP1.35
Rot. Bonds8

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (PubChem CID 135648074) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
PubChem CID135648074
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)COc2cccc(C)c2)c1O
InChIInChI=1S/C19H21N3O5/c1-13-5-3-7-15(9-13)27-12-18(24)20-11-17(23)22-21-10-14-6-4-8-16(26-2)19(14)25/h3-10,25H,11-12H2,1-2H3,(H,20,24)(H,22,23)/b21-10+
InChIKeyWGTWBTZUMHHRGU-UFFVCSGVSA-N
XLogP1.35
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
2-methoxy-N'-[(Z)-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237321
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
Piperidin-1-yl-acetic acid (3-ethoxy-4-hydroxy-benzylidene)-hydrazide
CID 135537550
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 135635740
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-(3-hydroxy-phenyl)-meth-(Z)-ylidene-hydrazinocarbonylmethyl]-amide
CID 5897094
(E)-N-(2-(2-(2-ethoxybenzylidene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
CID 9624494
N-[(1Z)-2-(3-ethoxy-4-hydroxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1,3-diamide
CID 135411908
N'-(2-hydroxy-3-methoxybenzylidene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135446554
N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135460491
N,N'-bis[(E)-(2-hydroxy-3-methoxy-phenyl)methyleneamino]oxamide
CID 135460566

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (CID 135648074) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is COc1cccc(/C=N/NC(=O)CNC(=O)COc2cccc(C)c2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is WGTWBTZUMHHRGU-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-13-5-3-7-15(9-13)27-12-18(24)20-11-17(23)22-21-10-14-6-4-8-16(26-2)19(14)25/h3-10,25H,11-12H2,1-2H3,(H,20,24)(H,22,23)/b21-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 135648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).