(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine

C25H43NO2 — CID 98298024

IUPAC(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCOc1ccc(C)cc1/C(C)=N/O
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25-19-18-22(2)21-24(25)23(3)26-27/h18-19,21,27H,4-17,20H2,1-3H3/b26-23+
InChIKeyOPRKRBWBSOZPQI-WNAAXNPUSA-N
MW389.62 g/mol
LogP8.05
Rot. Bonds17

About (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine (PubChem CID 98298024) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
PubChem CID98298024
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Name(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
SMILESCCCCCCCCCCCCCCCCOc1ccc(C)cc1/C(C)=N/O
InChIInChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25-19-18-22(2)21-24(25)23(3)26-27/h18-19,21,27H,4-17,20H2,1-3H3/b26-23+
InChIKeyOPRKRBWBSOZPQI-WNAAXNPUSA-N
XLogP8.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 58.05
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

3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673
N-[1-[2-(3-ethylsulfonylpropoxy)-5-methylphenyl]ethylidene]hydroxylamine
CID 77055461
(NE)-N-[1-[5-methyl-2-(4-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 83157735
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
5-methyl-2-nonoxybenzoic acid
CID 63463067
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
5-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]pentan-1-ol
CID 77003699
N-[1-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79227708
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 54878942
N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine (CID 98298024) is (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine is CCCCCCCCCCCCCCCCOc1ccc(C)cc1/C(C)=N/O.
What is the InChIKey of (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine?
The InChIKey is OPRKRBWBSOZPQI-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25-19-18-22(2)21-24(25)23(3)26-27/h18-19,21,27H,4-17,20H2,1-3H3/b26-23+.
What are the key properties of (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine has a molecular weight of 389.62 g/mol, XLogP of 8.05, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 98298024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).