(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine

C12H17NO3 — CID 43457228

IUPAC(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCOCCOc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C12H17NO3/c1-3-15-7-8-16-12-6-4-5-11(9-12)10(2)13-14/h4-6,9,14H,3,7-8H2,1-2H3/b13-10+
InChIKeyRROQQBHPSYJLBQ-JLHYYAGUSA-N
MW223.27 g/mol
LogP2.30
Rot. Bonds6

About (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 43457228) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID43457228
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
SMILESCCOCCOc1cccc(/C(C)=N/O)c1
InChIInChI=1S/C12H17NO3/c1-3-15-7-8-16-12-6-4-5-11(9-12)10(2)13-14/h4-6,9,14H,3,7-8H2,1-2H3/b13-10+
InChIKeyRROQQBHPSYJLBQ-JLHYYAGUSA-N
XLogP2.30
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[1-[3-[2-(4-bromophenoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 76999633
N-[1-(3-decoxyphenyl)ethylidene]hydroxylamine
CID 76999592
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethylidene]hydroxylamine
CID 24701950
4-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]butanenitrile
CID 24704400
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
N-[1-[3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 77069669
1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene
CID 139799952
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine (CID 43457228) is (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine is CCOCCOc1cccc(/C(C)=N/O)c1.
What is the InChIKey of (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is RROQQBHPSYJLBQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-7-8-16-12-6-4-5-11(9-12)10(2)13-14/h4-6,9,14H,3,7-8H2,1-2H3/b13-10+.
What are the key properties of (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 43457228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).