[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C24H33NO3 — CID 24768508

IUPAC[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOCc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1
InChIInChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3
InChIKeyFRSWCIYESSAJBI-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.08
Rot. Bonds6

About [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768508) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768508
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOCc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1
InChIInChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3
InChIKeyFRSWCIYESSAJBI-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768508) is [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is COCc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1.
What is the InChIKey of [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is FRSWCIYESSAJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-23(2)22(24(23,3)4)21(26)19-14-25(13-16-8-10-28-11-9-16)20-7-6-17(15-27-5)12-18(19)20/h6-7,12,14,16,22H,8-11,13,15H2,1-5H3.
What are the key properties of [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 383.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).