1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine

C20H29N3O4 — CID 111672052

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCCOc1ccc(OC)cc1
InChIInChI=1S/C20H29N3O4/c1-4-21-19(23-15-20(2,24)18-7-5-13-27-18)22-12-6-14-26-17-10-8-16(25-3)9-11-17/h5,7-11,13,24H,4,6,12,14-15H2,1-3H3,(H2,21,22,23)
InChIKeySTKDLFWVJCPIGK-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.52
Rot. Bonds10

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine (PubChem CID 111672052) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
PubChem CID111672052
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCCOc1ccc(OC)cc1
InChIInChI=1S/C20H29N3O4/c1-4-21-19(23-15-20(2,24)18-7-5-13-27-18)22-12-6-14-26-17-10-8-16(25-3)9-11-17/h5,7-11,13,24H,4,6,12,14-15H2,1-3H3,(H2,21,22,23)
InChIKeySTKDLFWVJCPIGK-UHFFFAOYSA-N
XLogP2.52
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.52
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672591
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111519257
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111671916
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
1-[2-(3-bromophenoxy)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111671469
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111671766
methyl 7-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]heptanoate
CID 111671924
methyl 7-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]heptanoate;hydroiodide
CID 111671923
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111672590
tert-butyl N-[3-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111672701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine (CID 111672052) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine is CCN/C(=N\CC(C)(O)c1ccco1)NCCCOc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine?
The InChIKey is STKDLFWVJCPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-21-19(23-15-20(2,24)18-7-5-13-27-18)22-12-6-14-26-17-10-8-16(25-3)9-11-17/h5,7-11,13,24H,4,6,12,14-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine has a molecular weight of 375.47 g/mol, XLogP of 2.52, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methoxyphenoxy)propyl]guanidine is sourced from PubChem (CID 111672052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).