N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine

C24H31FN2O2 — CID 88689804

IUPACN-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine
SMILESON=C(CCCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c25-23-13-11-22(12-14-23)24(26-28)10-4-3-8-20-6-1-2-7-21(20)9-5-15-27-16-18-29-19-17-27/h1-2,6-7,11-14,28H,3-5,8-10,15-19H2
InChIKeyPZAITTMHJGIROO-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.68
Rot. Bonds10

About N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine

N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine (PubChem CID 88689804) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine
PubChem CID88689804
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine
SMILESON=C(CCCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c25-23-13-11-22(12-14-23)24(26-28)10-4-3-8-20-6-1-2-7-21(20)9-5-15-27-16-18-29-19-17-27/h1-2,6-7,11-14,28H,3-5,8-10,15-19H2
InChIKeyPZAITTMHJGIROO-UHFFFAOYSA-N
XLogP4.68
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.68
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine?
The IUPAC name of N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine (CID 88689804) is N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine is ON=C(CCCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine?
The InChIKey is PZAITTMHJGIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c25-23-13-11-22(12-14-23)24(26-28)10-4-3-8-20-6-1-2-7-21(20)9-5-15-27-16-18-29-19-17-27/h1-2,6-7,11-14,28H,3-5,8-10,15-19H2.
What are the key properties of N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine?
N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine has a molecular weight of 398.52 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-5-[2-(3-morpholin-4-ylpropyl)phenyl]pentylidene]hydroxylamine is sourced from PubChem (CID 88689804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).