ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate

C24H30N2O2 — CID 59979284

IUPACethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C[C@@H](C)N[C@H](C)c3ccccc3)ccc2n1CC
InChIInChI=1S/C24H30N2O2/c1-5-26-22-13-12-19(15-21(22)16-23(26)24(27)28-6-2)14-17(3)25-18(4)20-10-8-7-9-11-20/h7-13,15-18,25H,5-6,14H2,1-4H3/t17-,18-/m1/s1
InChIKeyNJMGORGIHWCNPZ-QZTJIDSGSA-N
MW378.52 g/mol
LogP5.12
Rot. Bonds8

About ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate

ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate (PubChem CID 59979284) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate
PubChem CID59979284
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Nameethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C[C@@H](C)N[C@H](C)c3ccccc3)ccc2n1CC
InChIInChI=1S/C24H30N2O2/c1-5-26-22-13-12-19(15-21(22)16-23(26)24(27)28-6-2)14-17(3)25-18(4)20-10-8-7-9-11-20/h7-13,15-18,25H,5-6,14H2,1-4H3/t17-,18-/m1/s1
InChIKeyNJMGORGIHWCNPZ-QZTJIDSGSA-N
XLogP5.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate (CID 59979284) is ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate is CCOC(=O)c1cc2cc(C[C@@H](C)N[C@H](C)c3ccccc3)ccc2n1CC.
What is the InChIKey of ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate?
The InChIKey is NJMGORGIHWCNPZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-26-22-13-12-19(15-21(22)16-23(26)24(27)28-6-2)14-17(3)25-18(4)20-10-8-7-9-11-20/h7-13,15-18,25H,5-6,14H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate?
ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate has a molecular weight of 378.52 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate is sourced from PubChem (CID 59979284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).