N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide

C17H17IN2O3 — CID 5448423

IUPACN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1I
InChIInChI=1S/C17H17IN2O3/c1-12-3-6-14(7-4-12)23-11-17(21)20-19-10-13-5-8-16(22-2)15(18)9-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyDOQPGHCZSANRJU-GRSHGNNSSA-N
MW424.24 g/mol
LogP3.14
Rot. Bonds6

About N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide

N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 5448423) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID5448423
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC NameN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1I
InChIInChI=1S/C17H17IN2O3/c1-12-3-6-14(7-4-12)23-11-17(21)20-19-10-13-5-8-16(22-2)15(18)9-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyDOQPGHCZSANRJU-GRSHGNNSSA-N
XLogP3.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
2-(2,3-dimethylphenoxy)-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 6092676
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide (CID 5448423) is N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide is COc1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1I.
What is the InChIKey of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is DOQPGHCZSANRJU-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-12-3-6-14(7-4-12)23-11-17(21)20-19-10-13-5-8-16(22-2)15(18)9-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 424.24 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 5448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).