N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride

C22H31Cl2N3O3 — CID 20557062

IUPACN'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
SMILESCl.Cl.N/C(CC(c1ccccc1)c1ccccc1)=N\OCC(O)CN1CCOCC1
InChIInChI=1S/C22H29N3O3.2ClH/c23-22(24-28-17-20(26)16-25-11-13-27-14-12-25)15-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,20-21,26H,11-17H2,(H2,23,24);2*1H
InChIKeyAMUZKFRKFMSSGC-UHFFFAOYSA-N
MW456.41 g/mol
LogP3.03
Rot. Bonds9

About N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride

N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride (PubChem CID 20557062) has the molecular formula C22H31Cl2N3O3 and a molecular weight of 456.41 g/mol. Its IUPAC name is N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
PubChem CID20557062
Molecular FormulaC22H31Cl2N3O3
Molecular Weight456.41 g/mol
Exact Mass455.17
IUPAC NameN'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
SMILESCl.Cl.N/C(CC(c1ccccc1)c1ccccc1)=N\OCC(O)CN1CCOCC1
InChIInChI=1S/C22H29N3O3.2ClH/c23-22(24-28-17-20(26)16-25-11-13-27-14-12-25)15-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,20-21,26H,11-17H2,(H2,23,24);2*1H
InChIKeyAMUZKFRKFMSSGC-UHFFFAOYSA-N
XLogP3.03
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride 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

1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide
CID 13207781
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
CID 66646151
4-[(2S)-2-phenylpropyl]morpholine
CID 757569

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The IUPAC name of N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride (CID 20557062) is N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride.
What is the SMILES notation for N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The canonical SMILES for N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride is Cl.Cl.N/C(CC(c1ccccc1)c1ccccc1)=N\OCC(O)CN1CCOCC1.
What is the InChIKey of N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
The InChIKey is AMUZKFRKFMSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.2ClH/c23-22(24-28-17-20(26)16-25-11-13-27-14-12-25)15-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19;;/h1-10,20-21,26H,11-17H2,(H2,23,24);2*1H.
What are the key properties of N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride?
N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride has a molecular weight of 456.41 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride is sourced from PubChem (CID 20557062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).