N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide

C16H23BrN3O2+ — CID 7431816

IUPACN-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESCCC/C(=N/NC(=O)C[NH+]1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)/p+1/b18-15-
InChIKeyXDLNWTHRJDJSLP-SDXDJHTJSA-O
MW369.28 g/mol
LogP0.98
Rot. Bonds6

About N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide

N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7431816) has the molecular formula C16H23BrN3O2+ and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide
PubChem CID7431816
Molecular FormulaC16H23BrN3O2+
Molecular Weight369.28 g/mol
Exact Mass368.10
IUPAC NameN-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESCCC/C(=N/NC(=O)C[NH+]1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)/p+1/b18-15-
InChIKeyXDLNWTHRJDJSLP-SDXDJHTJSA-O
XLogP0.98
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 3458621
N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide
CID 5059049
4-bromo-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 6001763
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide
CID 6154621
[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
4-bromo-N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]benzamide
CID 6953032

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide (CID 7431816) is N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide is CCC/C(=N/NC(=O)C[NH+]1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is XDLNWTHRJDJSLP-SDXDJHTJSA-O. The full InChI is InChI=1S/C16H22BrN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)/p+1/b18-15-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide?
N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 369.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7431816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).