N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide

C31H44N2O2 — CID 67685879

About N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide

N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 67685879) has the molecular formula C31H44N2O2 and a molecular weight of 476.71 g/mol. Its IUPAC name is N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide
• PubChem CID: 67685879
• Molecular Formula: C31H44N2O2
• Molecular Weight: 476.71 g/mol
• Exact Mass: 476.34
• IUPAC Name: N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide
• SMILES: CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/c5ccc(NC(=O)C(C)(C)C)cc5)CC[C@H]4[C@@H]3CC[C@@H]12
• InChI: InChI=1S/C31H44N2O2/c1-29(2,3)28(35)32-22-10-7-20(8-11-22)19-21-9-13-24-23-12-14-26-31(5,18-16-27(34)33(26)6)25(23)15-17-30(21,24)4/h7-8,10-11,19,23-26H,9,12-18H2,1-6H3,(H,32,35)/b21-19+/t23-,24-,25-,26+,30+,31+/m0/s1
• InChIKey: QGCGLMSVWLBPEJ-GLOPQZENSA-N
• XLogP: 6.92
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.71
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide (CID 67685879) is N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/c5ccc(NC(=O)C(C)(C)C)cc5)CC[C@H]4[C@@H]3CC[C@@H]12.

What is the InChIKey of N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide?

The InChIKey is QGCGLMSVWLBPEJ-GLOPQZENSA-N. The full InChI is InChI=1S/C31H44N2O2/c1-29(2,3)28(35)32-22-10-7-20(8-11-22)19-21-9-13-24-23-12-14-26-31(5,18-16-27(34)33(26)6)25(23)15-17-30(21,24)4/h7-8,10-11,19,23-26H,9,12-18H2,1-6H3,(H,32,35)/b21-19+/t23-,24-,25-,26+,30+,31+/m0/s1.

What are the key properties of N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide?

N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 476.71 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-ylidene]methyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67685879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).