2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide

C26H44N2O3 — CID 67726936

About 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide

2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide (PubChem CID 67726936) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide.

Molecular Properties

• Compound Name: 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide
• PubChem CID: 67726936
• Molecular Formula: C26H44N2O3
• Molecular Weight: 432.65 g/mol
• Exact Mass: 432.34
• IUPAC Name: 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide
• SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OCC(=O)NC(C)(C)C
• InChI: InChI=1S/C26H44N2O3/c1-16-14-19-17-8-9-20-25(5,13-11-22(30)28(20)7)18(17)10-12-26(19,6)23(16)31-15-21(29)27-24(2,3)4/h16-20,23H,8-15H2,1-7H3,(H,27,29)/t16-,17+,18-,19-,20+,23-,25+,26-/m0/s1
• InChIKey: QJDKEICXEJOVDZ-VDDXUWSWSA-N
• XLogP: 4.40
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.65
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide?

The IUPAC name of 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide (CID 67726936) is 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide.

What is the SMILES notation for 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide?

The canonical SMILES for 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide is C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OCC(=O)NC(C)(C)C.

What is the InChIKey of 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide?

The InChIKey is QJDKEICXEJOVDZ-VDDXUWSWSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-16-14-19-17-8-9-20-25(5,13-11-22(30)28(20)7)18(17)10-12-26(19,6)23(16)31-15-21(29)27-24(2,3)4/h16-20,23H,8-15H2,1-7H3,(H,27,29)/t16-,17+,18-,19-,20+,23-,25+,26-/m0/s1.

What are the key properties of 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide?

2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide has a molecular weight of 432.65 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S,2S,3aS,3bR,5aR,9aR,9bS,11aS)-2,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]oxy]-N-tert-butylacetamide is sourced from PubChem (CID 67726936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).