[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C29H36N2O3 — CID 24768502

IUPAC[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
InChIInChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-11-10-22(18-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
InChIKeyRFPBUBXFEAZKGC-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.42
Rot. Bonds8

About [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768502) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768502
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
InChIInChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-11-10-22(18-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3
InChIKeyRFPBUBXFEAZKGC-UHFFFAOYSA-N
XLogP5.42
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768502) is [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is RFPBUBXFEAZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-28(2)27(29(28,3)4)26(32)24-19-31(13-12-30-14-16-33-17-15-30)25-11-10-22(18-23(24)25)34-20-21-8-6-5-7-9-21/h5-11,18-19,27H,12-17,20H2,1-4H3.
What are the key properties of [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 460.62 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)-5-phenylmethoxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).