(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine

C21H27NO — CID 6139858

IUPAC(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
SMILESCCCCCCCCc1ccc(-c2ccc(/C=N\O)cc2)cc1
InChIInChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-22-23/h9-17,23H,2-8H2,1H3/b22-17-
InChIKeyZPMWJPRVMNIIIK-XLNRJJMWSA-N
MW309.45 g/mol
LogP6.06
Rot. Bonds9

About (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine

(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine (PubChem CID 6139858) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
PubChem CID6139858
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine
SMILESCCCCCCCCc1ccc(-c2ccc(/C=N\O)cc2)cc1
InChIInChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-22-23/h9-17,23H,2-8H2,1H3/b22-17-
InChIKeyZPMWJPRVMNIIIK-XLNRJJMWSA-N
XLogP6.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
(E)-N-[(E)-(4-hexylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 20845118
1-(2,2-difluoroethenyl)-4-(4-hexylphenyl)benzene
CID 14573367
1-(4-hexylphenyl)-N-[4-[(4-hexylphenyl)methylideneamino]phenyl]methanimine
CID 71385175
2-[(E)-(4-octylphenyl)methylideneamino]guanidine
CID 166950257
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-nonylbenzene
CID 59545302
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine (CID 6139858) is (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine is CCCCCCCCc1ccc(-c2ccc(/C=N\O)cc2)cc1.
What is the InChIKey of (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine?
The InChIKey is ZPMWJPRVMNIIIK-XLNRJJMWSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-22-23/h9-17,23H,2-8H2,1H3/b22-17-.
What are the key properties of (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine has a molecular weight of 309.45 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-(4-octylphenyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6139858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).