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

C23H32N2O3 — CID 24768501

IUPAC[5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1
InChIInChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-7-6-16(27-5)14-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
InChIKeyLXIGKLBRCLUENK-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.85
Rot. Bonds6

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

[5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768501) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768501
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name[5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1
InChIInChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-7-6-16(27-5)14-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3
InChIKeyLXIGKLBRCLUENK-UHFFFAOYSA-N
XLogP3.85
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768501) is [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is COc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CCN1CCOCC1.
What is the InChIKey of [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LXIGKLBRCLUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-22(2)21(23(22,3)4)20(26)18-15-25(9-8-24-10-12-28-13-11-24)19-7-6-16(27-5)14-17(18)19/h6-7,14-15,21H,8-13H2,1-5H3.
What are the key properties of [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2-morpholin-4-ylethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).