1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

C23H25N5O2 — CID 110995331

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N5O2/c1-2-24-23(25-12-11-16-15-27-20-10-6-5-7-17(16)20)26-13-14-28-21(29)18-8-3-4-9-19(18)22(28)30/h3-10,15,27H,2,11-14H2,1H3,(H2,24,25,26)
InChIKeyQOUUMEXWRAZTQG-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.56
Rot. Bonds7

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 110995331) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID110995331
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c[nH]c2ccccc12)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N5O2/c1-2-24-23(25-12-11-16-15-27-20-10-6-5-7-17(16)20)26-13-14-28-21(29)18-8-3-4-9-19(18)22(28)30/h3-10,15,27H,2,11-14H2,1H3,(H2,24,25,26)
InChIKeyQOUUMEXWRAZTQG-UHFFFAOYSA-N
XLogP2.56
TPSA89.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.56
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111826736
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111499836
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 110996545
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 110996221
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 110997416
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110996415
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 110995331) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is CCN/C(=N\CCc1c[nH]c2ccccc12)NCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is QOUUMEXWRAZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-24-23(25-12-11-16-15-27-20-10-6-5-7-17(16)20)26-13-14-28-21(29)18-8-3-4-9-19(18)22(28)30/h3-10,15,27H,2,11-14H2,1H3,(H2,24,25,26).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 403.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 110995331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).