N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C18H18N4O6 — CID 135460566

IUPACN,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C18H18N4O6/c1-27-13-7-3-5-11(15(13)23)9-19-21-17(25)18(26)22-20-10-12-6-4-8-14(28-2)16(12)24/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)/b19-9+,20-10+
InChIKeyHGGFKPNZBFGOHM-LQGKIZFRSA-N
MW386.36 g/mol
LogP0.72
Rot. Bonds6

About N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 135460566) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID135460566
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C18H18N4O6/c1-27-13-7-3-5-11(15(13)23)9-19-21-17(25)18(26)22-20-10-12-6-4-8-14(28-2)16(12)24/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)/b19-9+,20-10+
InChIKeyHGGFKPNZBFGOHM-LQGKIZFRSA-N
XLogP0.72
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_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,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 135460566) is N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is HGGFKPNZBFGOHM-LQGKIZFRSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-27-13-7-3-5-11(15(13)23)9-19-21-17(25)18(26)22-20-10-12-6-4-8-14(28-2)16(12)24/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)/b19-9+,20-10+.
What are the key properties of N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 386.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).