N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide

C20H33N3O2 — CID 109479835

IUPACN-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCCOC)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H33N3O2/c1-4-21-20(22-12-8-5-9-14-24-3)23-13-15-25-19(16-23)18-11-7-6-10-17(18)2/h6-7,10-11,19H,4-5,8-9,12-16H2,1-3H3,(H,21,22)
InChIKeyBPAOTZAHNUWPQL-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.15
Rot. Bonds8

About N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide

N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109479835) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109479835
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCCCCOC)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H33N3O2/c1-4-21-20(22-12-8-5-9-14-24-3)23-13-15-25-19(16-23)18-11-7-6-10-17(18)2/h6-7,10-11,19H,4-5,8-9,12-16H2,1-3H3,(H,21,22)
InChIKeyBPAOTZAHNUWPQL-UHFFFAOYSA-N
XLogP3.15
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide 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'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481495
N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481060
N-ethyl-2-(2-methylphenyl)-N'-[4-(pyridin-2-ylamino)butyl]morpholine-4-carboximidamide
CID 109481543
N-ethyl-N'-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481059
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699
N-ethyl-N'-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479680
N-ethyl-2-(2-methylphenyl)-N'-[3-(5-methyl-1H-pyrazol-4-yl)propyl]morpholine-4-carboximidamide;hydroiodide
CID 109480992
N-ethyl-2-(2-methylphenyl)-N'-[2-(1-methylpiperidin-4-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 109479828
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109479835) is N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\CCCCCOC)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is BPAOTZAHNUWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-21-20(22-12-8-5-9-14-24-3)23-13-15-25-19(16-23)18-11-7-6-10-17(18)2/h6-7,10-11,19H,4-5,8-9,12-16H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 347.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109479835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).