1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine

C20H29N3O3 — CID 111788796

IUPAC1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1)NCCCOCc1ccco1
InChIInChI=1S/C20H29N3O3/c1-3-21-20(22-12-8-13-24-16-19-11-7-14-25-19)23-15-17(2)26-18-9-5-4-6-10-18/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23)
InChIKeyWACUBLVHEKMOPR-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.21
Rot. Bonds11

About 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine

1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine (PubChem CID 111788796) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
PubChem CID111788796
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
SMILESCCN/C(=N\CC(C)Oc1ccccc1)NCCCOCc1ccco1
InChIInChI=1S/C20H29N3O3/c1-3-21-20(22-12-8-13-24-16-19-11-7-14-25-19)23-15-17(2)26-18-9-5-4-6-10-18/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23)
InChIKeyWACUBLVHEKMOPR-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.21
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-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenylpropyl)guanidine
CID 111343385
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111399994
2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399591
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111398897
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788822
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111400290
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111519140
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111398995
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111399612
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250472

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine?
The IUPAC name of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine (CID 111788796) is 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine is CCN/C(=N\CC(C)Oc1ccccc1)NCCCOCc1ccco1.
What is the InChIKey of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine?
The InChIKey is WACUBLVHEKMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-21-20(22-12-8-13-24-16-19-11-7-14-25-19)23-15-17(2)26-18-9-5-4-6-10-18/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine?
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine has a molecular weight of 359.47 g/mol, XLogP of 3.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine is sourced from PubChem (CID 111788796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).