N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide

C21H28N4O — CID 109479902

IUPACN-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1ccccn1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H28N4O/c1-3-22-21(24-13-11-18-9-6-7-12-23-18)25-14-15-26-20(16-25)19-10-5-4-8-17(19)2/h4-10,12,20H,3,11,13-16H2,1-2H3,(H,22,24)
InChIKeyXLKMXKDUDZUUDV-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide

N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide (PubChem CID 109479902) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
PubChem CID109479902
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCc1ccccn1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H28N4O/c1-3-22-21(24-13-11-18-9-6-7-12-23-18)25-14-15-26-20(16-25)19-10-5-4-8-17(19)2/h4-10,12,20H,3,11,13-16H2,1-2H3,(H,22,24)
InChIKeyXLKMXKDUDZUUDV-UHFFFAOYSA-N
XLogP2.97
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.97
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'}

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Related Compounds

N-ethyl-2-(2-methylphenyl)-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480990
N-ethyl-2-(2-methylphenyl)-N'-[4-(pyridin-2-ylamino)butyl]morpholine-4-carboximidamide
CID 109481543
N-ethyl-2-(2-methylphenyl)-N'-[2-(6-methyl-3-pyridinyl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109480481
N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481754
N-ethyl-2-(2-methylphenyl)-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109481388
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480509
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide (CID 109479902) is N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide is CCN/C(=N\CCc1ccccn1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide?
The InChIKey is XLKMXKDUDZUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-22-21(24-13-11-18-9-6-7-12-23-18)25-14-15-26-20(16-25)19-10-5-4-8-17(19)2/h4-10,12,20H,3,11,13-16H2,1-2H3,(H,22,24).
What are the key properties of N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide?
N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide has a molecular weight of 352.48 g/mol, XLogP of 2.97, 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-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109479902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).