N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide

C21H26N4O — CID 54319746

IUPACN-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCN(C)C(Cc1ccccc1)=N/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H26N4O/c1-24(2)20(17-18-9-5-3-6-10-18)23-21(25-13-15-26-16-14-25)22-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3/b22-21+,23-20?
InChIKeySQUDGQXCMCJJQD-JDFFWSIESA-N
MW350.47 g/mol
LogP3.21
Rot. Bonds3

About N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide

N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide (PubChem CID 54319746) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
PubChem CID54319746
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
SMILESCN(C)C(Cc1ccccc1)=N/C(=N\c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H26N4O/c1-24(2)20(17-18-9-5-3-6-10-18)23-21(25-13-15-26-16-14-25)22-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3/b22-21+,23-20?
InChIKeySQUDGQXCMCJJQD-JDFFWSIESA-N
XLogP3.21
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
CID 146162313
CID 146162313
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 54480757
ethyl N-(C,N-diphenylcarbonimidoyl)morpholine-4-carboximidothioate
CID 15723315
1-morpholin-4-yl-2-phenyl-N-(2-phenylphenyl)ethanimine
CID 10832126
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
(E)-but-2-enedioic acid;N-(1-methylpyrrolidin-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
CID 66630041

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide (CID 54319746) is N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide is CN(C)C(Cc1ccccc1)=N/C(=N\c1ccccc1)N1CCOCC1.
What is the InChIKey of N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is SQUDGQXCMCJJQD-JDFFWSIESA-N. The full InChI is InChI=1S/C21H26N4O/c1-24(2)20(17-18-9-5-3-6-10-18)23-21(25-13-15-26-16-14-25)22-19-11-7-4-8-12-19/h3-12H,13-17H2,1-2H3/b22-21+,23-20?.
What are the key properties of N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide?
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 350.47 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 54319746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).