ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate

C24H33NO3 — CID 123723847

IUPACethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCC1CCCOCCC1C
InChIInChI=1S/C24H33NO3/c1-3-28-24(26)20-8-9-22-21(15-20)16-23(19-6-7-19)25(22)12-10-18-5-4-13-27-14-11-17(18)2/h8-9,15-19H,3-7,10-14H2,1-2H3
InChIKeyJUFCJCLMGZSEPN-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.54
Rot. Bonds6

About ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate

ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate (PubChem CID 123723847) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate
PubChem CID123723847
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Nameethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCC1CCCOCCC1C
InChIInChI=1S/C24H33NO3/c1-3-28-24(26)20-8-9-22-21(15-20)16-23(19-6-7-19)25(22)12-10-18-5-4-13-27-14-11-17(18)2/h8-9,15-19H,3-7,10-14H2,1-2H3
InChIKeyJUFCJCLMGZSEPN-UHFFFAOYSA-N
XLogP5.54
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate (CID 123723847) is ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate is CCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCC1CCCOCCC1C.
What is the InChIKey of ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate?
The InChIKey is JUFCJCLMGZSEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-3-28-24(26)20-8-9-22-21(15-20)16-23(19-6-7-19)25(22)12-10-18-5-4-13-27-14-11-17(18)2/h8-9,15-19H,3-7,10-14H2,1-2H3.
What are the key properties of ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate?
ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate has a molecular weight of 383.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate is sourced from PubChem (CID 123723847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).