2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide

C14H21N3O — CID 63235930

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC(CCN)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-10(14(18)16-2)17-9-11(7-8-15)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyRNMIDWIVKUHNHJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.07
Rot. Bonds4

About 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide (PubChem CID 63235930) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide
PubChem CID63235930
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CC(CCN)c2ccccc21
InChIInChI=1S/C14H21N3O/c1-10(14(18)16-2)17-9-11(7-8-15)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyRNMIDWIVKUHNHJ-UHFFFAOYSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide (CID 63235930) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide?
The InChIKey is RNMIDWIVKUHNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(14(18)16-2)17-9-11(7-8-15)12-5-3-4-6-13(12)17/h3-6,10-11H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 63235930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).