N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

C18H19N3O5 — CID 135635740

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C18H19N3O5/c1-12-3-2-4-15(7-12)26-11-18(25)19-10-17(24)21-20-9-13-5-6-14(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,19,25)(H,21,24)/b20-9+
InChIKeyBCQYODJBQLOHEE-AWQFTUOYSA-N
MW357.37 g/mol
LogP1.05
Rot. Bonds7

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (PubChem CID 135635740) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
PubChem CID135635740
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C18H19N3O5/c1-12-3-2-4-15(7-12)26-11-18(25)19-10-17(24)21-20-9-13-5-6-14(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,19,25)(H,21,24)/b20-9+
InChIKeyBCQYODJBQLOHEE-AWQFTUOYSA-N
XLogP1.05
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.05
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-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-2-m-tolyloxy-acetamide
CID 135648074
(E)-N-(2-(2-(2-ethoxybenzylidene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
CID 9624494
N-[2-[2-[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135460491
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
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135550888
(Z)-N-(2-((E)-2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)-3-(2-methoxyphenyl)acrylamide
CID 135549638
(E)-N-(2-(2-(1-(2,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoethyl)-2-phenoxyacetamide
CID 9631946
2-(3-methylphenoxy)-N-(2-oxo-2-{2-[(E)-1-phenylmethylidene]hydrazino}ethyl)acetamide
CID 6870364
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9624159

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide (CID 135635740) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide is Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)c1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is BCQYODJBQLOHEE-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-3-2-4-15(7-12)26-11-18(25)19-10-17(24)21-20-9-13-5-6-14(22)8-16(13)23/h2-9,22-23H,10-11H2,1H3,(H,19,25)(H,21,24)/b20-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 357.37 g/mol, XLogP of 1.05, 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-(3-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 135635740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).