1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

C24H32N4O2 — CID 109493579

IUPAC1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccc(OC(C)C)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H32N4O2/c1-4-25-24(26-14-13-19-15-27-22-8-6-5-7-21(19)22)28-16-23(29)18-9-11-20(12-10-18)30-17(2)3/h5-12,15,17,23,27,29H,4,13-14,16H2,1-3H3,(H2,25,26,28)
InChIKeyYDAPJIPSILFOEL-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.79
Rot. Bonds9

About 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine

1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 109493579) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID109493579
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(O)c1ccc(OC(C)C)cc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H32N4O2/c1-4-25-24(26-14-13-19-15-27-22-8-6-5-7-21(19)22)28-16-23(29)18-9-11-20(12-10-18)30-17(2)3/h5-12,15,17,23,27,29H,4,13-14,16H2,1-3H3,(H2,25,26,28)
InChIKeyYDAPJIPSILFOEL-UHFFFAOYSA-N
XLogP3.79
TPSA81.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 109493605
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 109495733
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 109494067
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111714762
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-pentylguanidine
CID 109493575
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
N-benzyl-3-[[N-ethyl-N'-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 109493408
N-[2-[[N-ethyl-N'-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 109493571
1-ethyl-3-[2-(ethylsulfonylamino)ethyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 109494318
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine (CID 109493579) is 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CC(O)c1ccc(OC(C)C)cc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is YDAPJIPSILFOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-4-25-24(26-14-13-19-15-27-22-8-6-5-7-21(19)22)28-16-23(29)18-9-11-20(12-10-18)30-17(2)3/h5-12,15,17,23,27,29H,4,13-14,16H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine?
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 408.55 g/mol, XLogP of 3.79, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 109493579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).