N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C20H29N3O2 — CID 109480193

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCC1=CCOCC1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H29N3O2/c1-16-5-3-4-6-18(16)19-15-23(11-14-25-19)20(21-2)22-10-7-17-8-12-24-13-9-17/h3-6,8,19H,7,9-15H2,1-2H3,(H,21,22)
InChIKeyYQFNCWHVQZENHR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480193) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480193
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESC/N=C(\NCCC1=CCOCC1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H29N3O2/c1-16-5-3-4-6-18(16)19-15-23(11-14-25-19)20(21-2)22-10-7-17-8-12-24-13-9-17/h3-6,8,19H,7,9-15H2,1-2H3,(H,21,22)
InChIKeyYQFNCWHVQZENHR-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.68
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-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-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480509
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481603
N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481843
N'-methyl-2-(2-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]morpholine-4-carboximidamide
CID 109480303
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N-[2-(2-butoxyethoxy)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480418
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480520

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480193) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is C/N=C(\NCCC1=CCOCC1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is YQFNCWHVQZENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-5-3-4-6-18(16)19-15-23(11-14-25-19)20(21-2)22-10-7-17-8-12-24-13-9-17/h3-6,8,19H,7,9-15H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 343.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).