1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine

C23H34N4O3 — CID 111683544

IUPAC1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCCn1c(C)cccc1=O
InChIInChI=1S/C23H34N4O3/c1-5-24-23(25-15-8-9-16-27-18(2)11-10-14-22(27)28)26-17-19(3)30-21-13-7-6-12-20(21)29-4/h6-7,10-14,19H,5,8-9,15-17H2,1-4H3,(H2,24,25,26)
InChIKeyPJFHQHUAXAICMP-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.97
Rot. Bonds11

About 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine

1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine (PubChem CID 111683544) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
PubChem CID111683544
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1OC)NCCCCn1c(C)cccc1=O
InChIInChI=1S/C23H34N4O3/c1-5-24-23(25-15-8-9-16-27-18(2)11-10-14-22(27)28)26-17-19(3)30-21-13-7-6-12-20(21)29-4/h6-7,10-14,19H,5,8-9,15-17H2,1-4H3,(H2,24,25,26)
InChIKeyPJFHQHUAXAICMP-UHFFFAOYSA-N
XLogP2.97
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.97
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'}

Analyze 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]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-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111682347
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111683724
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)guanidine
CID 111494506
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111683330
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 109411054
1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine
CID 111683154
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494298
2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 109492816
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide
CID 111989529
3-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111682277
1-butyl-3-ethyl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111150897
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111682704

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine (CID 111683544) is 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine is CCN/C(=N\CC(C)Oc1ccccc1OC)NCCCCn1c(C)cccc1=O.
What is the InChIKey of 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine?
The InChIKey is PJFHQHUAXAICMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-5-24-23(25-15-8-9-16-27-18(2)11-10-14-22(27)28)26-17-19(3)30-21-13-7-6-12-20(21)29-4/h6-7,10-14,19H,5,8-9,15-17H2,1-4H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine?
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine has a molecular weight of 414.55 g/mol, XLogP of 2.97, 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-(2-methoxyphenoxy)propyl]-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine is sourced from PubChem (CID 111683544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).