2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

C20H32N2O — CID 90885424

About 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide

2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (PubChem CID 90885424) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
• PubChem CID: 90885424
• Molecular Formula: C20H32N2O
• Molecular Weight: 316.49 g/mol
• Exact Mass: 316.25
• IUPAC Name: 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide
• SMILES: C[C@]12C=CCN[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(CC(N)=O)CC[C@@H]12
• InChI: InChI=1S/C20H32N2O/c1-19-10-8-16-14(15(19)6-4-13(19)12-18(21)23)5-7-17-20(16,2)9-3-11-22-17/h3,9,13-17,22H,4-8,10-12H2,1-2H3,(H2,21,23)/t13?,14-,15-,16-,17+,19+,20+/m0/s1
• InChIKey: UOGSXDUQQVRNAG-RGNYIMNZSA-N
• XLogP: 3.25
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.49
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?

The IUPAC name of 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide (CID 90885424) is 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide.

What is the SMILES notation for 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?

The canonical SMILES for 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is C[C@]12C=CCN[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(CC(N)=O)CC[C@@H]12.

What is the InChIKey of 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?

The InChIKey is UOGSXDUQQVRNAG-RGNYIMNZSA-N. The full InChI is InChI=1S/C20H32N2O/c1-19-10-8-16-14(15(19)6-4-13(19)12-18(21)23)5-7-17-20(16,2)9-3-11-22-17/h3,9,13-17,22H,4-8,10-12H2,1-2H3,(H2,21,23)/t13?,14-,15-,16-,17+,19+,20+/m0/s1.

What are the key properties of 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide?

2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide has a molecular weight of 316.49 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3aS,3bS,5aR,9aR,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]acetamide is sourced from PubChem (CID 90885424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).