N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide

C22H26IN3O7 — CID 136676413

IUPACN'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCCc2cc(OC)c(OC)c(OC)c2)cc(I)c1O
InChIInChI=1S/C22H26IN3O7/c1-5-33-16-11-14(8-15(23)19(16)27)12-25-26-22(29)21(28)24-7-6-13-9-17(30-2)20(32-4)18(10-13)31-3/h8-12,27H,5-7H2,1-4H3,(H,24,28)(H,26,29)/b25-12-
InChIKeyCTVJUIFXJJLRBA-ROTLSHHCSA-N
MW571.37 g/mol
LogP2.23
Rot. Bonds10

About N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide

N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide (PubChem CID 136676413) has the molecular formula C22H26IN3O7 and a molecular weight of 571.37 g/mol. Its IUPAC name is N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
PubChem CID136676413
Molecular FormulaC22H26IN3O7
Molecular Weight571.37 g/mol
Exact Mass571.08
IUPAC NameN'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide
SMILESCCOc1cc(/C=N\NC(=O)C(=O)NCCc2cc(OC)c(OC)c(OC)c2)cc(I)c1O
InChIInChI=1S/C22H26IN3O7/c1-5-33-16-11-14(8-15(23)19(16)27)12-25-26-22(29)21(28)24-7-6-13-9-17(30-2)20(32-4)18(10-13)31-3/h8-12,27H,5-7H2,1-4H3,(H,24,28)(H,26,29)/b25-12-
InChIKeyCTVJUIFXJJLRBA-ROTLSHHCSA-N
XLogP2.23
TPSA127.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

Analyze N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]oxamide
CID 137059381
N-(2-phenylethyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6260731
1-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-3-ethylthiourea
CID 137168386
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137180791
N-[2-[2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3987065
2-(2-ethoxyphenoxy)-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]acetamide
CID 135614416
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1381741
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4-methylbenzamide
CID 137068277

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide (CID 136676413) is N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide is CCOc1cc(/C=N\NC(=O)C(=O)NCCc2cc(OC)c(OC)c(OC)c2)cc(I)c1O.
What is the InChIKey of N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide?
The InChIKey is CTVJUIFXJJLRBA-ROTLSHHCSA-N. The full InChI is InChI=1S/C22H26IN3O7/c1-5-33-16-11-14(8-15(23)19(16)27)12-25-26-22(29)21(28)24-7-6-13-9-17(30-2)20(32-4)18(10-13)31-3/h8-12,27H,5-7H2,1-4H3,(H,24,28)(H,26,29)/b25-12-.
What are the key properties of N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide?
N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide has a molecular weight of 571.37 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-N-[2-(3,4,5-trimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 136676413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).