N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine

C18H29NO2 — CID 76999545

IUPACN-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCOc1ccccc1C(C)=NO
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-12-15-21-18-14-11-10-13-17(18)16(2)19-20/h10-11,13-14,20H,3-9,12,15H2,1-2H3
InChIKeyGLFWHAXHNASKNG-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.40
Rot. Bonds11

About N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine

N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine (PubChem CID 76999545) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
PubChem CID76999545
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCOc1ccccc1C(C)=NO
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-12-15-21-18-14-11-10-13-17(18)16(2)19-20/h10-11,13-14,20H,3-9,12,15H2,1-2H3
InChIKeyGLFWHAXHNASKNG-UHFFFAOYSA-N
XLogP5.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.40
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'}

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Related Compounds

(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
(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-nonoxybenzenecarbothioamide
CID 43129448
2-dodecoxybenzoic acid;nickel
CID 87443191
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 N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine (CID 76999545) is N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine is CCCCCCCCCCOc1ccccc1C(C)=NO.
What is the InChIKey of N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is GLFWHAXHNASKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-12-15-21-18-14-11-10-13-17(18)16(2)19-20/h10-11,13-14,20H,3-9,12,15H2,1-2H3.
What are the key properties of N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine?
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 291.44 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 76999545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).