1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine

C20H35N3O3 — CID 111404809

IUPAC1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
SMILESCCN/C(=N\CCCOCCOC)NCCCCOCc1ccccc1
InChIInChI=1S/C20H35N3O3/c1-3-21-20(23-13-9-15-25-17-16-24-2)22-12-7-8-14-26-18-19-10-5-4-6-11-19/h4-6,10-11H,3,7-9,12-18H2,1-2H3,(H2,21,22,23)
InChIKeyKRTZBMYSLPIAAM-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.59
Rot. Bonds15

About 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine

1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine (PubChem CID 111404809) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
PubChem CID111404809
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine
SMILESCCN/C(=N\CCCOCCOC)NCCCCOCc1ccccc1
InChIInChI=1S/C20H35N3O3/c1-3-21-20(23-13-9-15-25-17-16-24-2)22-12-7-8-14-26-18-19-10-5-4-6-11-19/h4-6,10-11H,3,7-9,12-18H2,1-2H3,(H2,21,22,23)
InChIKeyKRTZBMYSLPIAAM-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
1,3-diethyl-2-(4-phenylmethoxybutyl)guanidine
CID 110917028
2-benzyl-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 110953833
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111403509
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111404807
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111404069
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(2-phenylethyl)guanidine
CID 111135487
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111407106
1-ethyl-3-[4-(2-phenylethoxy)butyl]-2-propylguanidine
CID 111227861
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine?
The IUPAC name of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine (CID 111404809) is 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine?
The canonical SMILES for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine is CCN/C(=N\CCCOCCOC)NCCCCOCc1ccccc1.
What is the InChIKey of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine?
The InChIKey is KRTZBMYSLPIAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-3-21-20(23-13-9-15-25-17-16-24-2)22-12-7-8-14-26-18-19-10-5-4-6-11-19/h4-6,10-11H,3,7-9,12-18H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine?
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine has a molecular weight of 365.52 g/mol, XLogP of 2.59, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-(4-phenylmethoxybutyl)guanidine is sourced from PubChem (CID 111404809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).