2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide

C19H21IN2O4 — CID 17018818

IUPAC2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(I)c1OC
InChIInChI=1S/C19H21IN2O4/c1-12-5-6-16(13(2)7-12)26-11-18(23)22-21-10-14-8-15(20)19(25-4)17(9-14)24-3/h5-10H,11H2,1-4H3,(H,22,23)/b21-10-
InChIKeyMQCRKPMBDBNXNL-FBHDLOMBSA-N
MW468.29 g/mol
LogP3.45
Rot. Bonds7

About 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide

2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 17018818) has the molecular formula C19H21IN2O4 and a molecular weight of 468.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID17018818
Molecular FormulaC19H21IN2O4
Molecular Weight468.29 g/mol
Exact Mass468.05
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(I)c1OC
InChIInChI=1S/C19H21IN2O4/c1-12-5-6-16(13(2)7-12)26-11-18(23)22-21-10-14-8-15(20)19(25-4)17(9-14)24-3/h5-10H,11H2,1-4H3,(H,22,23)/b21-10-
InChIKeyMQCRKPMBDBNXNL-FBHDLOMBSA-N
XLogP3.45
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-(2,4-dimethylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135884298
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17018810
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
2-(2,4-dimethylphenyl)-N-[(E)-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 133144025
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5448423
ethyl 2-[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 5227195
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 3788031
2-(2,4-dimethylphenoxy)-N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19190457
[2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 41329859
N'-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3462962
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
N-(2,5-dimethylphenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 126259987

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide (CID 17018818) is 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(I)c1OC.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is MQCRKPMBDBNXNL-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H21IN2O4/c1-12-5-6-16(13(2)7-12)26-11-18(23)22-21-10-14-8-15(20)19(25-4)17(9-14)24-3/h5-10H,11H2,1-4H3,(H,22,23)/b21-10-.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 468.29 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 17018818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).