(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine

C16H25NO2 — CID 43129538

IUPAC(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCOc1ccccc1/C(C)=N/O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14(2)17-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3/b17-14+
InChIKeyBCDZRHIOOOLXOZ-SAPNQHFASA-N
MW263.38 g/mol
LogP4.62
Rot. Bonds9

About (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine (PubChem CID 43129538) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
PubChem CID43129538
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCOc1ccccc1/C(C)=N/O
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14(2)17-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3/b17-14+
InChIKeyBCDZRHIOOOLXOZ-SAPNQHFASA-N
XLogP4.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
2-nonoxybenzoic acid;zinc
CID 70396181
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzenecarbothioamide
CID 43129448
2-hexoxybenzenecarbothioamide
CID 22684505
(NZ)-N-[1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethylidene]hydroxylamine
CID 109374436
magnesium bis(2-decoxybenzoate)
CID 70413847
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine (CID 43129538) is (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine is CCCCCCCCOc1ccccc1/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is BCDZRHIOOOLXOZ-SAPNQHFASA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)14(2)17-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3/b17-14+.
What are the key properties of (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 263.38 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 43129538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).