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

C15H23N3O2 — CID 63236099

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H23N3O2/c1-20-9-8-17-15(19)11-18-10-12(6-7-16)13-4-2-3-5-14(13)18/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeySVFNZULDABZRAL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.70
Rot. Bonds7

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

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 63236099) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID63236099
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H23N3O2/c1-20-9-8-17-15(19)11-18-10-12(6-7-16)13-4-2-3-5-14(13)18/h2-5,12H,6-11,16H2,1H3,(H,17,19)
InChIKeySVFNZULDABZRAL-UHFFFAOYSA-N
XLogP0.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide (CID 63236099) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SVFNZULDABZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-9-8-17-15(19)11-18-10-12(6-7-16)13-4-2-3-5-14(13)18/h2-5,12H,6-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 63236099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).