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

C16H25N3O — CID 63235622

IUPAC3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-12(2)18-16(20)8-10-19-11-13(7-9-17)14-5-3-4-6-15(14)19/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyZAHSCCWWZUDOIL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.85
Rot. Bonds6

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

3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 63235622) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
PubChem CID63235622
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CC(CCN)c2ccccc21
InChIInChI=1S/C16H25N3O/c1-12(2)18-16(20)8-10-19-11-13(7-9-17)14-5-3-4-6-15(14)19/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyZAHSCCWWZUDOIL-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide (CID 63235622) is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CC(CCN)c2ccccc21.
What is the InChIKey of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is ZAHSCCWWZUDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)18-16(20)8-10-19-11-13(7-9-17)14-5-3-4-6-15(14)19/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63235622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).