N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide

C12H14IN3O4 — CID 137059381

IUPACN-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C12H14IN3O4/c1-3-14-11(18)12(19)16-15-6-7-4-8(13)10(17)9(5-7)20-2/h4-6,17H,3H2,1-2H3,(H,14,18)(H,16,19)/b15-6-
InChIKeyWQLJAAFGHCHRMG-UUASQNMZSA-N
MW391.17 g/mol
LogP0.59
Rot. Bonds4

About N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide

N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide (PubChem CID 137059381) has the molecular formula C12H14IN3O4 and a molecular weight of 391.17 g/mol. Its IUPAC name is N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide
PubChem CID137059381
Molecular FormulaC12H14IN3O4
Molecular Weight391.17 g/mol
Exact Mass391.00
IUPAC NameN-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(I)c(O)c(OC)c1
InChIInChI=1S/C12H14IN3O4/c1-3-14-11(18)12(19)16-15-6-7-4-8(13)10(17)9(5-7)20-2/h4-6,17H,3H2,1-2H3,(H,14,18)(H,16,19)/b15-6-
InChIKeyWQLJAAFGHCHRMG-UUASQNMZSA-N
XLogP0.59
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
CID 136676413
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
2-(4-bromophenyl)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135579428
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135614416
N-ethyl-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989083
1-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-octadecylthiourea
CID 135460232
N'-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3473434
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193
1-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-ethylthiourea
CID 137168386
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 137062879
2-(4-fluoroanilino)-N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 137180677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide (CID 137059381) is N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide is CCNC(=O)C(=O)N/N=C\c1cc(I)c(O)c(OC)c1.
What is the InChIKey of N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is WQLJAAFGHCHRMG-UUASQNMZSA-N. The full InChI is InChI=1S/C12H14IN3O4/c1-3-14-11(18)12(19)16-15-6-7-4-8(13)10(17)9(5-7)20-2/h4-6,17H,3H2,1-2H3,(H,14,18)(H,16,19)/b15-6-.
What are the key properties of N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide?
N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 391.17 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 137059381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).