N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide

C32H56N2O3 — CID 67614417

About N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide

N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide (PubChem CID 67614417) has the molecular formula C32H56N2O3 and a molecular weight of 516.81 g/mol. Its IUPAC name is N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide.

Molecular Properties

• Compound Name: N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide
• PubChem CID: 67614417
• Molecular Formula: C32H56N2O3
• Molecular Weight: 516.81 g/mol
• Exact Mass: 516.43
• IUPAC Name: N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide
• SMILES: CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)CCCCCCCCCCCO)CC[C@@H]12
• InChI: InChI=1S/C32H56N2O3/c1-31-20-18-27-25(15-17-28-32(27,2)21-19-30(37)34(28)3)26(31)16-14-24(31)23-33-29(36)13-11-9-7-5-4-6-8-10-12-22-35/h24-28,35H,4-23H2,1-3H3,(H,33,36)/t24?,25-,26-,27+,28?,31+,32+/m0/s1
• InChIKey: MGVBPVNGVHZVNI-BOUQHFHISA-N
• XLogP: 6.48
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.81
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide?

The IUPAC name of N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide (CID 67614417) is N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide.

What is the SMILES notation for N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide?

The canonical SMILES for N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide is CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)CCCCCCCCCCCO)CC[C@@H]12.

What is the InChIKey of N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide?

The InChIKey is MGVBPVNGVHZVNI-BOUQHFHISA-N. The full InChI is InChI=1S/C32H56N2O3/c1-31-20-18-27-25(15-17-28-32(27,2)21-19-30(37)34(28)3)26(31)16-14-24(31)23-33-29(36)13-11-9-7-5-4-6-8-10-12-22-35/h24-28,35H,4-23H2,1-3H3,(H,33,36)/t24?,25-,26-,27+,28?,31+,32+/m0/s1.

What are the key properties of N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide?

N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide has a molecular weight of 516.81 g/mol, XLogP of 6.48, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aS,3bS,9aR,9bR,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-12-hydroxydodecanamide is sourced from PubChem (CID 67614417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).