ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate

C21H23NO4 — CID 77462167

IUPACethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2N1C(=O)C(C)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c1-3-25-21(24)19-13-17-11-7-8-12-18(17)22(19)20(23)15(2)26-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyJHTTZOXDKXORAH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.11
Rot. Bonds6

About ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate

ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 77462167) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate
PubChem CID77462167
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Nameethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2N1C(=O)C(C)OCc1ccccc1
InChIInChI=1S/C21H23NO4/c1-3-25-21(24)19-13-17-11-7-8-12-18(17)22(19)20(23)15(2)26-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyJHTTZOXDKXORAH-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-2,3-dihydroindole-2-carboxylate
CID 86612047
ethyl 1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57054254
ethyl (2S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylate
CID 57272025
ethyl (2S)-1-[(4R)-4-amino-5-oxo-6-phenylhexanoyl]-2,3-dihydroindole-2-carboxylate
CID 86740643
ethyl (2S)-1-(2-oxo-2-phenylacetyl)-2,3-dihydroindole-2-carboxylate
CID 11727048
(2S)-1-[(2R)-5-ethoxy-2-methyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105695
(2S)-1-[(2R)-5-ethoxy-5-oxo-2-propan-2-ylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 22822753
ethyl (2S)-1-[(4R)-4-ethoxycarbonyl-10-phenyldecanoyl]-2,3-dihydroindole-2-carboxylate
CID 70507548
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 174520970
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]-2,3-dihydroindole-2-carboxylate
CID 22874536

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate (CID 77462167) is ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate is CCOC(=O)C1Cc2ccccc2N1C(=O)C(C)OCc1ccccc1.
What is the InChIKey of ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is JHTTZOXDKXORAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-3-25-21(24)19-13-17-11-7-8-12-18(17)22(19)20(23)15(2)26-14-16-9-5-4-6-10-16/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate?
ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylmethoxypropanoyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 77462167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).