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

C17H27N3O — CID 63235746

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)13(3)19-17(21)11-20-10-14(8-9-18)15-6-4-5-7-16(15)20/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyFONWPCGUFNDHQQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.10
Rot. Bonds6

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

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 63235746) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID63235746
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-12(2)13(3)19-17(21)11-20-10-14(8-9-18)15-6-4-5-7-16(15)20/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyFONWPCGUFNDHQQ-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.10
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-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 63235746) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is FONWPCGUFNDHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)13(3)19-17(21)11-20-10-14(8-9-18)15-6-4-5-7-16(15)20/h4-7,12-14H,8-11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.10, 6 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63235746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).