4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine

C15H23N4O3P — CID 13381631

IUPAC4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
SMILESO=P(N/N=C/c1ccccc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H23N4O3P/c20-23(18-6-10-21-11-7-18,19-8-12-22-13-9-19)17-16-14-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,20)/b16-14+
InChIKeyNQYASWWXJWOKPR-JQIJEIRASA-N
MW338.35 g/mol
LogP1.38
Rot. Bonds5

About 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine

4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine (PubChem CID 13381631) has the molecular formula C15H23N4O3P and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine.

Molecular Properties

Compound Name4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
PubChem CID13381631
Molecular FormulaC15H23N4O3P
Molecular Weight338.35 g/mol
Exact Mass338.15
IUPAC Name4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine
SMILESO=P(N/N=C/c1ccccc1)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C15H23N4O3P/c20-23(18-6-10-21-11-7-18,19-8-12-22-13-9-19)17-16-14-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,20)/b16-14+
InChIKeyNQYASWWXJWOKPR-JQIJEIRASA-N
XLogP1.38
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]morpholine-4-carbothioamide
CID 6873170
N-dimorpholin-4-ylphosphoryl-4-methylaniline
CID 139064039
morpholin-4-yl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10638162
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
(E)-N-(morpholin-4-ylmethyl)-1-phenylmethanimine
CID 15711828
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
N-methyl-N-[morpholin-4-yl-[(2E)-2-(1-phenylethylidene)hydrazinyl]phosphoryl]methanamine
CID 13381625
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
1-[morpholin-4-yl(phenoxy)phosphoryl]-2-phenylhydrazine
CID 12574843
4-[(E)-1-deuterio-2-phenylethenyl]morpholine
CID 100965293

Frequently Asked Questions

What is the IUPAC name of 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine?
The IUPAC name of 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine (CID 13381631) is 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine.
What is the SMILES notation for 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine?
The canonical SMILES for 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine is O=P(N/N=C/c1ccccc1)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine?
The InChIKey is NQYASWWXJWOKPR-JQIJEIRASA-N. The full InChI is InChI=1S/C15H23N4O3P/c20-23(18-6-10-21-11-7-18,19-8-12-22-13-9-19)17-16-14-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,20)/b16-14+.
What are the key properties of 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine?
4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine has a molecular weight of 338.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2E)-2-benzylidenehydrazinyl]-morpholin-4-ylphosphoryl]morpholine is sourced from PubChem (CID 13381631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).