1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine

C23H27N3O2 — CID 111491490

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,27H,2,16-18H2,1H3,(H2,24,25,26)
InChIKeyBJHIDJABMDQWCZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.47
Rot. Bonds8

About 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine

1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine (PubChem CID 111491490) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
PubChem CID111491490
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,27H,2,16-18H2,1H3,(H2,24,25,26)
InChIKeyBJHIDJABMDQWCZ-UHFFFAOYSA-N
XLogP3.47
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-hydroxy-2,3-diphenylpropyl)guanidine
CID 109428631
1-ethyl-2,3-bis(furan-2-ylmethyl)guanidine
CID 110938014
N-tert-butyl-2-[[ethylamino-[(2-hydroxy-2,3-diphenylpropyl)amino]methylidene]amino]acetamide
CID 111518749
1-(2-cyclopropylethyl)-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111604926
1-ethyl-2-(furan-2-ylmethyl)-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611589
1-ethyl-3-[2-(3-fluorophenyl)-2-methylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 111625564
2-benzyl-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111492847
3-[[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 109417016
1-amino-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 116511394
1-tert-butyl-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110965775
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 110938885
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine (CID 111491490) is 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine is CCN/C(=N\Cc1ccco1)NCC(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
The InChIKey is BJHIDJABMDQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-24-22(25-17-21-14-9-15-28-21)26-18-23(27,20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h3-15,27H,2,16-18H2,1H3,(H2,24,25,26).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine has a molecular weight of 377.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-(2-hydroxy-2,3-diphenylpropyl)guanidine is sourced from PubChem (CID 111491490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).