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

C18H19N3O5 — CID 135549613

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)c1O
InChIInChI=1S/C18H19N3O5/c1-25-15-9-5-6-13(18(15)24)10-20-21-16(22)11-19-17(23)12-26-14-7-3-2-4-8-14/h2-10,24H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKeyOBVSXVXAWMTVAY-KEBDBYFISA-N
MW357.37 g/mol
LogP1.05
Rot. Bonds8

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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 135549613) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID135549613
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)c1O
InChIInChI=1S/C18H19N3O5/c1-25-15-9-5-6-13(18(15)24)10-20-21-16(22)11-19-17(23)12-26-14-7-3-2-4-8-14/h2-10,24H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+
InChIKeyOBVSXVXAWMTVAY-KEBDBYFISA-N
XLogP1.05
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.05
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-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135615022
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
2-(4-ethoxyanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136721150
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 135648147
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (CID 135549613) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is COc1cccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is OBVSXVXAWMTVAY-KEBDBYFISA-N. The full InChI is InChI=1S/C18H19N3O5/c1-25-15-9-5-6-13(18(15)24)10-20-21-16(22)11-19-17(23)12-26-14-7-3-2-4-8-14/h2-10,24H,11-12H2,1H3,(H,19,23)(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 357.37 g/mol, XLogP of 1.05, 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-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 135549613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).