1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine

C23H40N4O3 — CID 111998721

IUPAC1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C23H40N4O3/c1-5-18(6-2)21(27-11-13-30-14-12-27)16-25-23(24-7-3)26-17-22(28)19-9-8-10-20(15-19)29-4/h8-10,15,18,21-22,28H,5-7,11-14,16-17H2,1-4H3,(H2,24,25,26)
InChIKeyOKEGFIXNHJHCPK-UHFFFAOYSA-N
MW420.60 g/mol
LogP2.42
Rot. Bonds11

About 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine

1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine (PubChem CID 111998721) has the molecular formula C23H40N4O3 and a molecular weight of 420.60 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
PubChem CID111998721
Molecular FormulaC23H40N4O3
Molecular Weight420.60 g/mol
Exact Mass420.31
IUPAC Name1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
SMILESCCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C23H40N4O3/c1-5-18(6-2)21(27-11-13-30-14-12-27)16-25-23(24-7-3)26-17-22(28)19-9-8-10-20(15-19)29-4/h8-10,15,18,21-22,28H,5-7,11-14,16-17H2,1-4H3,(H2,24,25,26)
InChIKeyOKEGFIXNHJHCPK-UHFFFAOYSA-N
XLogP2.42
TPSA78.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 109491169
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111997076
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111998747
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111765803
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931642
1-ethyl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111346942
1,3-diethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110924791
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111999466
1-ethyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111769046
3-[2-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634129
1-ethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187745
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314931

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine (CID 111998721) is 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine is CCN/C(=N\CC(C(CC)CC)N1CCOCC1)NCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine?
The InChIKey is OKEGFIXNHJHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O3/c1-5-18(6-2)21(27-11-13-30-14-12-27)16-25-23(24-7-3)26-17-22(28)19-9-8-10-20(15-19)29-4/h8-10,15,18,21-22,28H,5-7,11-14,16-17H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine?
1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine has a molecular weight of 420.60 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 111998721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).