N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine

C12H16INO3 — CID 57360358

IUPACN-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(I)cc(C=NO)cc1OCC
InChIInChI=1S/C12H16INO3/c1-3-5-17-12-10(13)6-9(8-14-15)7-11(12)16-4-2/h6-8,15H,3-5H2,1-2H3
InChIKeyVKEGOYHOHPDBNB-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.29
Rot. Bonds6

About N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine

N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine (PubChem CID 57360358) has the molecular formula C12H16INO3 and a molecular weight of 349.17 g/mol. Its IUPAC name is N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
PubChem CID57360358
Molecular FormulaC12H16INO3
Molecular Weight349.17 g/mol
Exact Mass349.02
IUPAC NameN-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
SMILESCCCOc1c(I)cc(C=NO)cc1OCC
InChIInChI=1S/C12H16INO3/c1-3-5-17-12-10(13)6-9(8-14-15)7-11(12)16-4-2/h6-8,15H,3-5H2,1-2H3
InChIKeyVKEGOYHOHPDBNB-UHFFFAOYSA-N
XLogP3.29
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.29
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

1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126214958
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662
(NZ)-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91683154
4-butoxy-3-ethoxy-5-iodobenzaldehyde
CID 19617695
1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
N-(3-chloro-2-methylphenyl)-1-(3-ethoxy-5-iodo-4-propoxyphenyl)methanimine
CID 126225878
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
N-[(2,3-dibromo-5-ethoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360359
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
CID 168530777
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-[(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]guanidine
CID 168592039

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine (CID 57360358) is N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine is CCCOc1c(I)cc(C=NO)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine?
The InChIKey is VKEGOYHOHPDBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO3/c1-3-5-17-12-10(13)6-9(8-14-15)7-11(12)16-4-2/h6-8,15H,3-5H2,1-2H3.
What are the key properties of N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine?
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine has a molecular weight of 349.17 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 57360358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).