N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C22H21IN2O3 — CID 6281145

IUPACN-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCOc1c(I)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H21IN2O3/c1-3-28-22-19(23)11-15(12-20(22)27-2)14-24-25-21(26)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-
InChIKeyKZBIMNYAEVKWIV-OYKKKHCWSA-N
MW488.33 g/mol
LogP4.54
Rot. Bonds7

About N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 6281145) has the molecular formula C22H21IN2O3 and a molecular weight of 488.33 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID6281145
Molecular FormulaC22H21IN2O3
Molecular Weight488.33 g/mol
Exact Mass488.06
IUPAC NameN-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCCOc1c(I)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H21IN2O3/c1-3-28-22-19(23)11-15(12-20(22)27-2)14-24-25-21(26)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-
InChIKeyKZBIMNYAEVKWIV-OYKKKHCWSA-N
XLogP4.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.54
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

N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126262498
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126261909
2-(4-bromophenyl)-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 99665428
2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985
2-(2,5-dimethylphenyl)-N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126364397
N-[(3-iodo-4-methoxy-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3368477
1-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 4590748
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
2-(4-bromoanilino)-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126361542
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126367547
3-ethoxy-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126317583

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 6281145) is N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is CCOc1c(I)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is KZBIMNYAEVKWIV-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H21IN2O3/c1-3-28-22-19(23)11-15(12-20(22)27-2)14-24-25-21(26)13-17-9-6-8-16-7-4-5-10-18(16)17/h4-12,14H,3,13H2,1-2H3,(H,25,26)/b24-14-.
What are the key properties of N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 488.33 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 6281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).