(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine

C15H16N2O3 — CID 99642838

IUPAC(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)ccc1OCc1cccnc1
InChIInChI=1S/C15H16N2O3/c1-2-19-15-8-12(10-17-18)5-6-14(15)20-11-13-4-3-7-16-9-13/h3-10,18H,2,11H2,1H3/b17-10+
InChIKeyGZUVAQDZZGEBPP-LICLKQGHSA-N
MW272.30 g/mol
LogP2.87
Rot. Bonds6

About (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 99642838) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
PubChem CID99642838
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(/C=N/O)ccc1OCc1cccnc1
InChIInChI=1S/C15H16N2O3/c1-2-19-15-8-12(10-17-18)5-6-14(15)20-11-13-4-3-7-16-9-13/h3-10,18H,2,11H2,1H3/b17-10+
InChIKeyGZUVAQDZZGEBPP-LICLKQGHSA-N
XLogP2.87
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(NZ)-N-[[3-iodo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 91682653
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 20985165
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854326
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 110510107
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 6175149

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine (CID 99642838) is (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine is CCOc1cc(/C=N/O)ccc1OCc1cccnc1.
What is the InChIKey of (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is GZUVAQDZZGEBPP-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-19-15-8-12(10-17-18)5-6-14(15)20-11-13-4-3-7-16-9-13/h3-10,18H,2,11H2,1H3/b17-10+.
What are the key properties of (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 272.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 99642838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).