ethyl 3-(1-phenylindol-3-yl)propanoate

C19H19NO2 — CID 154127482

IUPACethyl 3-(1-phenylindol-3-yl)propanoate
SMILESCCOC(=O)CCc1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)13-12-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h3-11,14H,2,12-13H2,1H3
InChIKeyRIEGLXRFXAIWCM-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.13
Rot. Bonds5

About ethyl 3-(1-phenylindol-3-yl)propanoate

ethyl 3-(1-phenylindol-3-yl)propanoate (PubChem CID 154127482) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 3-(1-phenylindol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-phenylindol-3-yl)propanoate
PubChem CID154127482
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl 3-(1-phenylindol-3-yl)propanoate
SMILESCCOC(=O)CCc1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)13-12-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h3-11,14H,2,12-13H2,1H3
InChIKeyRIEGLXRFXAIWCM-UHFFFAOYSA-N
XLogP4.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[1-[3-(dimethylamino)phenyl]-3-(2-phenylethyl)indol-5-yl]propanoate
CID 68523558
ethyl 3-[1-[4-(3-hydroxypropoxy)phenyl]-3-(2-phenylethyl)indol-5-yl]propanoate
CID 68519103
ethyl (E)-2-methyl-5-(1-pyridin-3-ylindol-3-yl)pent-2-enoate
CID 70489157
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
ethyl 3-(3-chloronaphthalen-1-yl)propanoate
CID 175159774
ethyl 3-[1-(2-acetamidophenyl)-3-(2-phenylethyl)indol-5-yl]propanoate
CID 68519157
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
2-methoxy-5-(1-pyridin-3-ylindol-3-yl)pent-1-en-1-one
CID 88722594
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
ethyl 3-[2-(1,1-difluoroethyl)phenyl]propanoate
CID 134444752
3-[1-(2-ethoxyethyl)indol-3-yl]propanoic acid
CID 43457264

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-phenylindol-3-yl)propanoate?
The IUPAC name of ethyl 3-(1-phenylindol-3-yl)propanoate (CID 154127482) is ethyl 3-(1-phenylindol-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-phenylindol-3-yl)propanoate?
The canonical SMILES for ethyl 3-(1-phenylindol-3-yl)propanoate is CCOC(=O)CCc1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 3-(1-phenylindol-3-yl)propanoate?
The InChIKey is RIEGLXRFXAIWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-22-19(21)13-12-15-14-20(16-8-4-3-5-9-16)18-11-7-6-10-17(15)18/h3-11,14H,2,12-13H2,1H3.
What are the key properties of ethyl 3-(1-phenylindol-3-yl)propanoate?
ethyl 3-(1-phenylindol-3-yl)propanoate has a molecular weight of 293.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-phenylindol-3-yl)propanoate is sourced from PubChem (CID 154127482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).