2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H28N2O2 — CID 78998454

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCC2CCCCC21)C(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)16(12(3)19)17-15(20)10-18-9-8-13-6-4-5-7-14(13)18/h11,13-14,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyUDACRRPIFOAVQG-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.98
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 78998454) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID78998454
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1CCC2CCCCC21)C(C)C
InChIInChI=1S/C16H28N2O2/c1-11(2)16(12(3)19)17-15(20)10-18-9-8-13-6-4-5-7-14(13)18/h11,13-14,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyUDACRRPIFOAVQG-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 78998454) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1CCC2CCCCC21)C(C)C.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is UDACRRPIFOAVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)16(12(3)19)17-15(20)10-18-9-8-13-6-4-5-7-14(13)18/h11,13-14,16H,4-10H2,1-3H3,(H,17,20).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 280.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 78998454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).