N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

C17H17N3O5 — CID 135460491

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H17N3O5/c21-13-7-6-12(15(22)8-13)9-19-20-16(23)10-18-17(24)11-25-14-4-2-1-3-5-14/h1-9,21-22H,10-11H2,(H,18,24)(H,20,23)/b19-9+
InChIKeyOWVRDNXXFQEPHI-DJKKODMXSA-N
MW343.34 g/mol
LogP0.74
Rot. Bonds7

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 135460491) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID135460491
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H17N3O5/c21-13-7-6-12(15(22)8-13)9-19-20-16(23)10-18-17(24)11-25-14-4-2-1-3-5-14/h1-9,21-22H,10-11H2,(H,18,24)(H,20,23)/b19-9+
InChIKeyOWVRDNXXFQEPHI-DJKKODMXSA-N
XLogP0.74
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 135519934
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 135635740
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
3-(Acetyloxy)-4-{2-[(2-allylphenoxy)acetyl]carbohydrazonoyl}phenyl acetate
CID 6876607
(E)-N-(2-(2-(2-ethoxybenzylidene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
CID 9624494
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1-(2,4-dihydroxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-amide
CID 135517073
(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
(Z)-N-[2-oxidanylidene-2-[2-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]ethyl]-3-phenyl-prop-2-enamide
CID 135549626
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135550888
2-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazino}-2-oxo-N-propylacetamide
CID 9595979
(Z)-N-(2-((E)-2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)-3-(2-methoxyphenyl)acrylamide
CID 135549638

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (CID 135460491) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is OWVRDNXXFQEPHI-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-13-7-6-12(15(22)8-13)9-19-20-16(23)10-18-17(24)11-25-14-4-2-1-3-5-14/h1-9,21-22H,10-11H2,(H,18,24)(H,20,23)/b19-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 343.34 g/mol, XLogP of 0.74, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 135460491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).