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

C23H29FN2O2 — CID 88690423

IUPACN-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c24-22-12-10-21(11-13-22)23(25-27)9-3-7-19-5-1-2-6-20(19)8-4-14-26-15-17-28-18-16-26/h1-2,5-6,10-13,27H,3-4,7-9,14-18H2
InChIKeyFPONGMNDIKDARH-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.29
Rot. Bonds9

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

N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine (PubChem CID 88690423) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine
PubChem CID88690423
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine
SMILESON=C(CCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c24-22-12-10-21(11-13-22)23(25-27)9-3-7-19-5-1-2-6-20(19)8-4-14-26-15-17-28-18-16-26/h1-2,5-6,10-13,27H,3-4,7-9,14-18H2
InChIKeyFPONGMNDIKDARH-UHFFFAOYSA-N
XLogP4.29
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine?
The IUPAC name of N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine (CID 88690423) is N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine is ON=C(CCCc1ccccc1CCCN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine?
The InChIKey is FPONGMNDIKDARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c24-22-12-10-21(11-13-22)23(25-27)9-3-7-19-5-1-2-6-20(19)8-4-14-26-15-17-28-18-16-26/h1-2,5-6,10-13,27H,3-4,7-9,14-18H2.
What are the key properties of N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine?
N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine has a molecular weight of 384.50 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-[2-(3-morpholin-4-ylpropyl)phenyl]butylidene]hydroxylamine is sourced from PubChem (CID 88690423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).