2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate

C19H20N2O2 — CID 11067939

IUPAC2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate
SMILESCN(C)CCOC(=O)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-20(2)12-13-23-19(22)18-14-15-8-6-7-11-17(15)21(18)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3
InChIKeyTUCYREJGLUNICP-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.35
Rot. Bonds5

About 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate

2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate (PubChem CID 11067939) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate
PubChem CID11067939
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate
SMILESCN(C)CCOC(=O)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-20(2)12-13-23-19(22)18-14-15-8-6-7-11-17(15)21(18)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3
InChIKeyTUCYREJGLUNICP-UHFFFAOYSA-N
XLogP3.35
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate (CID 11067939) is 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate is CN(C)CCOC(=O)c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate?
The InChIKey is TUCYREJGLUNICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-20(2)12-13-23-19(22)18-14-15-8-6-7-11-17(15)21(18)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate?
2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-phenylindole-2-carboxylate is sourced from PubChem (CID 11067939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).