N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

C21H35N3O3 — CID 109479493

IUPACN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC(O)COCC(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H35N3O3/c1-5-22-21(23-12-18(25)15-26-14-16(2)3)24-10-11-27-20(13-24)19-9-7-6-8-17(19)4/h6-9,16,18,20,25H,5,10-15H2,1-4H3,(H,22,23)
InChIKeyYZCPUCYSYNGAAZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.37
Rot. Bonds8

About N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109479493) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109479493
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CC(O)COCC(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C21H35N3O3/c1-5-22-21(23-12-18(25)15-26-14-16(2)3)24-10-11-27-20(13-24)19-9-7-6-8-17(19)4/h6-9,16,18,20,25H,5,10-15H2,1-4H3,(H,22,23)
InChIKeyYZCPUCYSYNGAAZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480679
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
N-ethyl-N'-(3-hydroxy-2,2-dimethylpropyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480503
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480867
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
CID 109481577
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N-ethyl-2-(2-methylphenyl)-N'-[(1-methylpiperidin-4-yl)methyl]morpholine-4-carboximidamide
CID 109481121
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109479493) is N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\CC(O)COCC(C)C)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is YZCPUCYSYNGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-5-22-21(23-12-18(25)15-26-14-16(2)3)24-10-11-27-20(13-24)19-9-7-6-8-17(19)4/h6-9,16,18,20,25H,5,10-15H2,1-4H3,(H,22,23).
What are the key properties of N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 377.53 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109479493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).