(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine

C20H18INO3 — CID 91683154

IUPAC(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C20H18INO3/c1-2-24-19-11-14(12-22-23)10-18(21)20(19)25-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-12,23H,2,13H2,1H3/b22-12-
InChIKeyIMKCZLOPBWOPQQ-UUYOSTAYSA-N
MW447.27 g/mol
LogP5.23
Rot. Bonds6

About (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine

(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 91683154) has the molecular formula C20H18INO3 and a molecular weight of 447.27 g/mol. Its IUPAC name is (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
PubChem CID91683154
Molecular FormulaC20H18INO3
Molecular Weight447.27 g/mol
Exact Mass447.03
IUPAC Name(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N\O)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C20H18INO3/c1-2-24-19-11-14(12-22-23)10-18(21)20(19)25-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-12,23H,2,13H2,1H3/b22-12-
InChIKeyIMKCZLOPBWOPQQ-UUYOSTAYSA-N
XLogP5.23
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.27
LogP ≤ 55.23
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 6898110
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533302
2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985
(E)-3-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126377301
2-(2,5-dimethylphenyl)-N-[(E)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126364397
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126363332
N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 3717028
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3943827
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126238865

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine (CID 91683154) is (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine is CCOc1cc(/C=N\O)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is IMKCZLOPBWOPQQ-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H18INO3/c1-2-24-19-11-14(12-22-23)10-18(21)20(19)25-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-12,23H,2,13H2,1H3/b22-12-.
What are the key properties of (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 447.27 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 91683154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).