1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide

C25H37IN4O3 — CID 111964782

IUPAC1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCOCc1ccccc1.I
InChIInChI=1S/C25H36N4O3.HI/c1-3-26-25(27-13-16-32-20-21-7-5-4-6-8-21)28-19-24(29-14-17-31-18-15-29)22-9-11-23(30-2)12-10-22;/h4-12,24H,3,13-20H2,1-2H3,(H2,26,27,28);1H
InChIKeyMTINNNIQMVLOJW-UHFFFAOYSA-N
MW568.50 g/mol
LogP3.46
Rot. Bonds11

About 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide

1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide (PubChem CID 111964782) has the molecular formula C25H37IN4O3 and a molecular weight of 568.50 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
PubChem CID111964782
Molecular FormulaC25H37IN4O3
Molecular Weight568.50 g/mol
Exact Mass568.19
IUPAC Name1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCOCc1ccccc1.I
InChIInChI=1S/C25H36N4O3.HI/c1-3-26-25(27-13-16-32-20-21-7-5-4-6-8-21)28-19-24(29-14-17-31-18-15-29)22-9-11-23(30-2)12-10-22;/h4-12,24H,3,13-20H2,1-2H3,(H2,26,27,28);1H
InChIKeyMTINNNIQMVLOJW-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111604770
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778609
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111309975
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111309851
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111309666
1-(2-cyclopropylethyl)-3-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111604771
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111895744
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111309974
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-phenylmethoxybutyl)guanidine
CID 111283743
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111309472
1-ethyl-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111291862

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide (CID 111964782) is 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccc(OC)cc1)N1CCOCC1)NCCOCc1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide?
The InChIKey is MTINNNIQMVLOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3.HI/c1-3-26-25(27-13-16-32-20-21-7-5-4-6-8-21)28-19-24(29-14-17-31-18-15-29)22-9-11-23(30-2)12-10-22;/h4-12,24H,3,13-20H2,1-2H3,(H2,26,27,28);1H.
What are the key properties of 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide?
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide has a molecular weight of 568.50 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-phenylmethoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 111964782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).