N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide

C30H42N2O4 — CID 67813290

About N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide

N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 67813290) has the molecular formula C30H42N2O4 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide
• PubChem CID: 67813290
• Molecular Formula: C30H42N2O4
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.31
• IUPAC Name: N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide
• SMILES: COc1ccc(N(C[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C(C)=O)cc1OC
• InChI: InChI=1S/C30H42N2O4/c1-19(33)32(21-8-11-25(35-5)26(17-21)36-6)18-20-7-10-23-22-9-12-27-30(3,16-14-28(34)31(27)4)24(22)13-15-29(20,23)2/h8,11,14,16-17,20,22-24,27H,7,9-10,12-13,15,18H2,1-6H3/t20-,22+,23+,24+,27-,29-,30-/m1/s1
• InChIKey: NVXGEDBFKIMNBY-LSBQMORWSA-N
• XLogP: 5.31
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide?

The IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide (CID 67813290) is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide.

What is the SMILES notation for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide?

The canonical SMILES for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(N(C[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C(C)=O)cc1OC.

What is the InChIKey of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide?

The InChIKey is NVXGEDBFKIMNBY-LSBQMORWSA-N. The full InChI is InChI=1S/C30H42N2O4/c1-19(33)32(21-8-11-25(35-5)26(17-21)36-6)18-20-7-10-23-22-9-12-27-30(3,16-14-28(34)31(27)4)24(22)13-15-29(20,23)2/h8,11,14,16-17,20,22-24,27H,7,9-10,12-13,15,18H2,1-6H3/t20-,22+,23+,24+,27-,29-,30-/m1/s1.

What are the key properties of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide?

N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 494.68 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 67813290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).