4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide

C21H27N3O — CID 120848272

IUPAC4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2c1NCC2
InChIInChI=1S/C21H27N3O/c1-4-24(15-19-7-5-6-17-12-13-22-20(17)19)14-16-8-10-18(11-9-16)21(25)23(2)3/h5-11,22H,4,12-15H2,1-3H3
InChIKeyXICGNMUOCVQTBT-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.38
Rot. Bonds6

About 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide

4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 120848272) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID120848272
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2c1NCC2
InChIInChI=1S/C21H27N3O/c1-4-24(15-19-7-5-6-17-12-13-22-20(17)19)14-16-8-10-18(11-9-16)21(25)23(2)3/h5-11,22H,4,12-15H2,1-3H3
InChIKeyXICGNMUOCVQTBT-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide (CID 120848272) is 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc2c1NCC2.
What is the InChIKey of 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is XICGNMUOCVQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-24(15-19-7-5-6-17-12-13-22-20(17)19)14-16-8-10-18(11-9-16)21(25)23(2)3/h5-11,22H,4,12-15H2,1-3H3.
What are the key properties of 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide?
4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-dihydro-1H-indol-7-ylmethyl(ethyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 120848272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).