N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide

C23H37IN4O2 — CID 109452810

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C(=O)N1CCOCC1)c1ccccc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C23H36N4O2.HI/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-16-19(18-10-8-7-9-11-18)20(28)26-12-14-29-15-13-26;/h7-11,19H,6,12-17H2,1-5H3,(H,24,25);1H
InChIKeyVJIRXPMXNBCFMI-UHFFFAOYSA-N
MW528.48 g/mol
LogP3.33
Rot. Bonds5

About N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452810) has the molecular formula C23H37IN4O2 and a molecular weight of 528.48 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109452810
Molecular FormulaC23H37IN4O2
Molecular Weight528.48 g/mol
Exact Mass528.20
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C(=O)N1CCOCC1)c1ccccc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C23H36N4O2.HI/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-16-19(18-10-8-7-9-11-18)20(28)26-12-14-29-15-13-26;/h7-11,19H,6,12-17H2,1-5H3,(H,24,25);1H
InChIKeyVJIRXPMXNBCFMI-UHFFFAOYSA-N
XLogP3.33
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(methoxymethyl)-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737528
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120
1-ethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019344
1,1,3,3-tetramethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111099902
N-ethyl-N'-(2-hydroxy-3-phenylpropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453173
1,1-diethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099883
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109453473
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111171514
3-methyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111099903
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099877
1-[(2S)-1-methoxypropan-2-yl]-2-[(2S)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]guanidine
CID 95761569

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide (CID 109452810) is N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C(=O)N1CCOCC1)c1ccccc1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is VJIRXPMXNBCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2.HI/c1-6-24-21(27-17-22(2,3)23(27,4)5)25-16-19(18-10-8-7-9-11-18)20(28)26-12-14-29-15-13-26;/h7-11,19H,6,12-17H2,1-5H3,(H,24,25);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 528.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).