[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C20H28N2O — CID 11507883

IUPAC[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCN(C)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-19(2)18(20(19,3)4)17(23)15-13-22(12-11-21(5)6)16-10-8-7-9-14(15)16/h7-10,13,18H,11-12H2,1-6H3
InChIKeyYDYHNPCJDOAHPS-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.07
Rot. Bonds5

About [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11507883) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11507883
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCN(C)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-19(2)18(20(19,3)4)17(23)15-13-22(12-11-21(5)6)16-10-8-7-9-14(15)16/h7-10,13,18H,11-12H2,1-6H3
InChIKeyYDYHNPCJDOAHPS-UHFFFAOYSA-N
XLogP4.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11507883) is [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CN(C)CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is YDYHNPCJDOAHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-19(2)18(20(19,3)4)17(23)15-13-22(12-11-21(5)6)16-10-8-7-9-14(15)16/h7-10,13,18H,11-12H2,1-6H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 312.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11507883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).