(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine

C18H19NO4 — CID 142932462

IUPAC(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(/C(=N/O)c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C18H19NO4/c1-2-21-16-8-6-13(7-9-16)17(19-20)14-4-3-5-15(12-14)18-22-10-11-23-18/h3-9,12,18,20H,2,10-11H2,1H3/b19-17-
InChIKeyHOBHNIVTNMIMRJ-ZPHPHTNESA-N
MW313.35 g/mol
LogP3.36
Rot. Bonds5

About (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine (PubChem CID 142932462) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine
PubChem CID142932462
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(/C(=N/O)c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C18H19NO4/c1-2-21-16-8-6-13(7-9-16)17(19-20)14-4-3-5-15(12-14)18-22-10-11-23-18/h3-9,12,18,20H,2,10-11H2,1H3/b19-17-
InChIKeyHOBHNIVTNMIMRJ-ZPHPHTNESA-N
XLogP3.36
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.36
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'}

Analyze (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine (CID 142932462) is (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine is CCOc1ccc(/C(=N/O)c2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is HOBHNIVTNMIMRJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-21-16-8-6-13(7-9-16)17(19-20)14-4-3-5-15(12-14)18-22-10-11-23-18/h3-9,12,18,20H,2,10-11H2,1H3/b19-17-.
What are the key properties of (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 313.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[3-(1,3-dioxolan-2-yl)phenyl]-(4-ethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 142932462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).