ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate

C24H23NO3 — CID 90082821

IUPACethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-2-27-24(26)22-17-19-10-4-6-13-21(19)25(22)15-8-16-28-23-14-7-11-18-9-3-5-12-20(18)23/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKeyBUDUANPQPNOAJI-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.44
Rot. Bonds7

About ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate

ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate (PubChem CID 90082821) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
PubChem CID90082821
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nameethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C24H23NO3/c1-2-27-24(26)22-17-19-10-4-6-13-21(19)25(22)15-8-16-28-23-14-7-11-18-9-3-5-12-20(18)23/h3-7,9-14,17H,2,8,15-16H2,1H3
InChIKeyBUDUANPQPNOAJI-UHFFFAOYSA-N
XLogP5.44
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(3-naphthalen-1-yloxypropyl)-4-(2-oxocyclohexyl)indole-2-carboxylate
CID 67315704
ethyl 3-(2,3-dimethylphenyl)-1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 67316661
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 1-ethylindole-2-carboxylate
CID 56528605
ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate
CID 1036735
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
[3-(2,6-dimethylphenyl)-1-(3-naphthalen-1-yloxypropyl)indol-2-yl] hydrogen carbonate
CID 118340034
[3-(3,5-dimethylphenyl)-1-(3-naphthalen-1-yloxypropyl)indol-2-yl] hydrogen carbonate
CID 118339924
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
ethyl 1-[(3,5-difluorophenyl)methyl]indole-2-carboxylate
CID 143638283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate?
The IUPAC name of ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate (CID 90082821) is ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate?
The canonical SMILES for ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate?
The InChIKey is BUDUANPQPNOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-27-24(26)22-17-19-10-4-6-13-21(19)25(22)15-8-16-28-23-14-7-11-18-9-3-5-12-20(18)23/h3-7,9-14,17H,2,8,15-16H2,1H3.
What are the key properties of ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate?
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate is sourced from PubChem (CID 90082821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).