[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone

C24H29NO3 — CID 45486233

IUPAC[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone
SMILESO=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2
InChIInChI=1S/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
InChIKeyOMGBHSJGIZWCCX-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.60
Rot. Bonds4

About [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone

[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone (PubChem CID 45486233) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone.

Molecular Properties

Compound Name[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone
PubChem CID45486233
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone
SMILESO=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2
InChIInChI=1S/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2
InChIKeyOMGBHSJGIZWCCX-UHFFFAOYSA-N
XLogP4.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone?
The IUPAC name of [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone (CID 45486233) is [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone.
What is the SMILES notation for [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone?
The canonical SMILES for [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone is O=C(c1cn(CC2CCOCC2)c2ccccc12)C12CC3CC(CC(C3)O1)C2.
What is the InChIKey of [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone?
The InChIKey is OMGBHSJGIZWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-23(24-12-17-9-18(13-24)11-19(10-17)28-24)21-15-25(14-16-5-7-27-8-6-16)22-4-2-1-3-20(21)22/h1-4,15-19H,5-14H2.
What are the key properties of [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone?
[1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone has a molecular weight of 379.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylmethyl)indol-3-yl]-(2-oxatricyclo[3.3.1.13,7]decan-1-yl)methanone is sourced from PubChem (CID 45486233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).