1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

C23H33N5O3 — CID 111683016

IUPAC1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C23H33N5O3/c1-4-24-23(26-16-18(2)31-21-10-6-5-9-20(21)29-3)27-17-19-8-7-11-25-22(19)28-12-14-30-15-13-28/h5-11,18H,4,12-17H2,1-3H3,(H2,24,26,27)
InChIKeySDNSQOZHMLEQOV-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.45
Rot. Bonds9

About 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine

1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (PubChem CID 111683016) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
PubChem CID111683016
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1cccnc1N1CCOCC1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C23H33N5O3/c1-4-24-23(26-16-18(2)31-21-10-6-5-9-20(21)29-3)27-17-19-8-7-11-25-22(19)28-12-14-30-15-13-28/h5-11,18H,4,12-17H2,1-3H3,(H2,24,26,27)
InChIKeySDNSQOZHMLEQOV-UHFFFAOYSA-N
XLogP2.45
TPSA80.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine 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-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111683015
1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111678391
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111503525
1-(2,2-diphenylethyl)-3-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111357122
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111878415
1-ethyl-3-[2-(3-methoxyphenoxy)propyl]-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111679615
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111683387
1-ethyl-3-(3-methoxypropyl)-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110973248
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111683323
N-ethyl-4-(2-methoxyphenyl)-N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111133868
1-(3-ethoxypropyl)-3-ethyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111224089
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111682502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine (CID 111683016) is 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1cccnc1N1CCOCC1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is SDNSQOZHMLEQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-4-24-23(26-16-18(2)31-21-10-6-5-9-20(21)29-3)27-17-19-8-7-11-25-22(19)28-12-14-30-15-13-28/h5-11,18H,4,12-17H2,1-3H3,(H2,24,26,27).
What are the key properties of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine?
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 427.55 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111683016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).