N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide

C15H20N2O — CID 4199247

IUPACN-(2-indol-1-ylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c1-15(2,3)14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17/h4-8,10H,9,11H2,1-3H3,(H,16,18)
InChIKeyGKCOISMINNNSAT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds3

About N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide

N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide (PubChem CID 4199247) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-2,2-dimethylpropanamide
PubChem CID4199247
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-indol-1-ylethyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C15H20N2O/c1-15(2,3)14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17/h4-8,10H,9,11H2,1-3H3,(H,16,18)
InChIKeyGKCOISMINNNSAT-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide (CID 4199247) is N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCn1ccc2ccccc21.
What is the InChIKey of N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide?
The InChIKey is GKCOISMINNNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17/h4-8,10H,9,11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide?
N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4199247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).