N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide

C14H16IN3O4 — CID 137048193

IUPACN-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1O
InChIInChI=1S/C14H16IN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7-
InChIKeyCWIOLUSJGYSZFZ-APSNUPSMSA-N
MW417.20 g/mol
LogP1.12
Rot. Bonds5

About N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide (PubChem CID 137048193) has the molecular formula C14H16IN3O4 and a molecular weight of 417.20 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
PubChem CID137048193
Molecular FormulaC14H16IN3O4
Molecular Weight417.20 g/mol
Exact Mass417.02
IUPAC NameN-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1O
InChIInChI=1S/C14H16IN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7-
InChIKeyCWIOLUSJGYSZFZ-APSNUPSMSA-N
XLogP1.12
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.20
LogP ≤ 51.12
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-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126270951
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137180791
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931721
2-[4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 8990084
N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8989357
N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]oxamide
CID 126158329
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277
N-cyclopentyl-N'-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 21211563
N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
CID 136676413

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide (CID 137048193) is N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NC2CC2)cc(I)c1O.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide?
The InChIKey is CWIOLUSJGYSZFZ-APSNUPSMSA-N. The full InChI is InChI=1S/C14H16IN3O4/c1-2-22-11-6-8(5-10(15)12(11)19)7-16-18-14(21)13(20)17-9-3-4-9/h5-7,9,19H,2-4H2,1H3,(H,17,20)(H,18,21)/b16-7-.
What are the key properties of N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide has a molecular weight of 417.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide is sourced from PubChem (CID 137048193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).