N-(2-indol-1-ylethyl)propanamide

C13H16N2O — CID 6710458

IUPACN-(2-indol-1-ylethyl)propanamide
SMILESCCC(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-13(16)14-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,2,8,10H2,1H3,(H,14,16)
InChIKeyKQFWEBJWZNOFEJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds4

About N-(2-indol-1-ylethyl)propanamide

N-(2-indol-1-ylethyl)propanamide (PubChem CID 6710458) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)propanamide
PubChem CID6710458
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-indol-1-ylethyl)propanamide
SMILESCCC(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C13H16N2O/c1-2-13(16)14-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,2,8,10H2,1H3,(H,14,16)
InChIKeyKQFWEBJWZNOFEJ-UHFFFAOYSA-N
XLogP2.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
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)propanamide?
The IUPAC name of N-(2-indol-1-ylethyl)propanamide (CID 6710458) is N-(2-indol-1-ylethyl)propanamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)propanamide?
The canonical SMILES for N-(2-indol-1-ylethyl)propanamide is CCC(=O)NCCn1ccc2ccccc21.
What is the InChIKey of N-(2-indol-1-ylethyl)propanamide?
The InChIKey is KQFWEBJWZNOFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-13(16)14-8-10-15-9-7-11-5-3-4-6-12(11)15/h3-7,9H,2,8,10H2,1H3,(H,14,16).
What are the key properties of N-(2-indol-1-ylethyl)propanamide?
N-(2-indol-1-ylethyl)propanamide has a molecular weight of 216.28 g/mol, XLogP of 2.17, 4 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)propanamide is sourced from PubChem (CID 6710458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).