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

C28H33NO2 — CID 24768509

IUPAC[1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C
InChIInChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
InChIKeyAVZZJQBTDOHRFF-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.60
Rot. Bonds5

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

[1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768509) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768509
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name[1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C
InChIInChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3
InChIKeyAVZZJQBTDOHRFF-UHFFFAOYSA-N
XLogP6.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768509) is [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(-c4ccccc4)cc23)C1(C)C.
What is the InChIKey of [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is AVZZJQBTDOHRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-27(2)26(28(27,3)4)25(30)23-18-29(17-19-12-14-31-15-13-19)24-11-10-21(16-22(23)24)20-8-6-5-7-9-20/h5-11,16,18-19,26H,12-15,17H2,1-4H3.
What are the key properties of [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 415.58 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-ylmethyl)-5-phenylindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).