(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

C28H47N3O3 — CID 67794497

About (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (PubChem CID 67794497) has the molecular formula C28H47N3O3 and a molecular weight of 473.70 g/mol. Its IUPAC name is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

Molecular Properties

• Compound Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• PubChem CID: 67794497
• Molecular Formula: C28H47N3O3
• Molecular Weight: 473.70 g/mol
• Exact Mass: 473.36
• IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
• SMILES: CC(C)(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C
• InChI: InChI=1S/C28H47N3O3/c1-25(2,3)30-24(34)31(26(4,5)6)23(33)20-11-10-18-17-9-12-21-28(8,16-14-22(32)29-21)19(17)13-15-27(18,20)7/h17-21H,9-16H2,1-8H3,(H,29,32)(H,30,34)/t17-,18-,19-,20+,21+,27-,28+/m0/s1
• InChIKey: HQMSOLYZWWQYHT-LJZPXGTDSA-N
• XLogP: 5.26
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.70
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide (CID 67794497) is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide.

What is the SMILES notation for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The canonical SMILES for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is CC(C)(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C.

What is the InChIKey of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

The InChIKey is HQMSOLYZWWQYHT-LJZPXGTDSA-N. The full InChI is InChI=1S/C28H47N3O3/c1-25(2,3)30-24(34)31(26(4,5)6)23(33)20-11-10-18-17-9-12-21-28(8,16-14-22(32)29-21)19(17)13-15-27(18,20)7/h17-21H,9-16H2,1-8H3,(H,29,32)(H,30,34)/t17-,18-,19-,20+,21+,27-,28+/m0/s1.

What are the key properties of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide?

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide has a molecular weight of 473.70 g/mol, XLogP of 5.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-N-(tert-butylcarbamoyl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide is sourced from PubChem (CID 67794497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).