N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide

C19H22N2O — CID 24709751

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCC2CNc3ccccc32)c1C
InChIInChI=1S/C19H22N2O/c1-13-6-5-8-16(14(13)2)19(22)20-11-10-15-12-21-18-9-4-3-7-17(15)18/h3-9,15,21H,10-12H2,1-2H3,(H,20,22)
InChIKeyITYFIKOVGYZLGL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide (PubChem CID 24709751) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
PubChem CID24709751
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCC2CNc3ccccc32)c1C
InChIInChI=1S/C19H22N2O/c1-13-6-5-8-16(14(13)2)19(22)20-11-10-15-12-21-18-9-4-3-7-17(15)18/h3-9,15,21H,10-12H2,1-2H3,(H,20,22)
InChIKeyITYFIKOVGYZLGL-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide (CID 24709751) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCCC2CNc3ccccc32)c1C.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is ITYFIKOVGYZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-6-5-8-16(14(13)2)19(22)20-11-10-15-12-21-18-9-4-3-7-17(15)18/h3-9,15,21H,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 24709751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).