[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate

C24H22N2O4 — CID 8010153

IUPAC[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C24H22N2O4/c27-21(17-10-15-4-3-9-26-22(28)12-18(11-17)24(15)26)14-30-23(29)8-7-16-13-25-20-6-2-1-5-19(16)20/h1-2,5-6,10-11,13,25H,3-4,7-9,12,14H2
InChIKeyUOGGFFAOCWKLDO-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.36
Rot. Bonds6

About [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate

[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 8010153) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID8010153
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C24H22N2O4/c27-21(17-10-15-4-3-9-26-22(28)12-18(11-17)24(15)26)14-30-23(29)8-7-16-13-25-20-6-2-1-5-19(16)20/h1-2,5-6,10-11,13,25H,3-4,7-9,12,14H2
InChIKeyUOGGFFAOCWKLDO-UHFFFAOYSA-N
XLogP3.36
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate (CID 8010153) is [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is UOGGFFAOCWKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-21(17-10-15-4-3-9-26-22(28)12-18(11-17)24(15)26)14-30-23(29)8-7-16-13-25-20-6-2-1-5-19(16)20/h1-2,5-6,10-11,13,25H,3-4,7-9,12,14H2.
What are the key properties of [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate?
[2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 402.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)ethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 8010153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).