3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide

C14H21N3O — CID 80649036

IUPAC3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cccc2c1NCC2
InChIInChI=1S/C14H21N3O/c1-17(2)13(18)7-8-15-10-12-5-3-4-11-6-9-16-14(11)12/h3-5,15-16H,6-10H2,1-2H3
InChIKeyXOJLYAGHGFWLNG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds5

About 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide (PubChem CID 80649036) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
PubChem CID80649036
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCc1cccc2c1NCC2
InChIInChI=1S/C14H21N3O/c1-17(2)13(18)7-8-15-10-12-5-3-4-11-6-9-16-14(11)12/h3-5,15-16H,6-10H2,1-2H3
InChIKeyXOJLYAGHGFWLNG-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide (CID 80649036) is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNCc1cccc2c1NCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide?
The InChIKey is XOJLYAGHGFWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)13(18)7-8-15-10-12-5-3-4-11-6-9-16-14(11)12/h3-5,15-16H,6-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide?
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 80649036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).