N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide

C19H18N4O4 — CID 135497958

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
SMILESCOc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O4/c1-12(13-7-9-14(26-2)10-8-13)23-27-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-12+
InChIKeyAHGIEZMUQVGFGP-UXGIFMBZSA-N
MW366.38 g/mol
LogP3.93
Rot. Bonds6

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide (PubChem CID 135497958) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
PubChem CID135497958
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
SMILESCOc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4O4/c1-12(13-7-9-14(26-2)10-8-13)23-27-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-12+
InChIKeyAHGIEZMUQVGFGP-UXGIFMBZSA-N
XLogP3.93
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide (CID 135497958) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide is COc1ccc(/C(C)=N/OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
The InChIKey is AHGIEZMUQVGFGP-UXGIFMBZSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(13-7-9-14(26-2)10-8-13)23-27-11-17(24)21-22-18-15-5-3-4-6-16(15)20-19(18)25/h3-10,20,25H,11H2,1-2H3/b22-21+,23-12+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide has a molecular weight of 366.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide is sourced from PubChem (CID 135497958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).