ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate

C19H20N2O3 — CID 11674232

IUPACethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
InChIInChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3
InChIKeyPUPSFGSGDXDHQE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.22
Rot. Bonds5

About ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate

ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate (PubChem CID 11674232) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate
PubChem CID11674232
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
InChIInChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3
InChIKeyPUPSFGSGDXDHQE-UHFFFAOYSA-N
XLogP4.22
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate (CID 11674232) is ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate is CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate?
The InChIKey is PUPSFGSGDXDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate?
ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-(1-phenylethylamino)-1H-indole-3-carboxylate is sourced from PubChem (CID 11674232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).