N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide

C29H44N2O4 — CID 74578539

About N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide

N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide (PubChem CID 74578539) has the molecular formula C29H44N2O4 and a molecular weight of 484.68 g/mol. Its IUPAC name is N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
• PubChem CID: 74578539
• Molecular Formula: C29H44N2O4
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.33
• IUPAC Name: N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)NC2CCC3(C)CCC(C(C)C(=O)N4CCC(C)CC4)C(O)C3C2C)cc1
• InChI: InChI=1S/C29H44N2O4/c1-18-12-16-31(17-13-18)28(34)19(2)23-10-14-29(4)15-11-24(20(3)25(29)26(23)32)30-27(33)21-6-8-22(35-5)9-7-21/h6-9,18-20,23-26,32H,10-17H2,1-5H3,(H,30,33)
• InChIKey: KBMOCQZCBIHWQM-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide?

The IUPAC name of N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide (CID 74578539) is N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide.

What is the SMILES notation for N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide?

The canonical SMILES for N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC3(C)CCC(C(C)C(=O)N4CCC(C)CC4)C(O)C3C2C)cc1.

What is the InChIKey of N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide?

The InChIKey is KBMOCQZCBIHWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2O4/c1-18-12-16-31(17-13-18)28(34)19(2)23-10-14-29(4)15-11-24(20(3)25(29)26(23)32)30-27(33)21-6-8-22(35-5)9-7-21/h6-9,18-20,23-26,32H,10-17H2,1-5H3,(H,30,33).

What are the key properties of N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide?

N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide has a molecular weight of 484.68 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-hydroxy-1,4a-dimethyl-7-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 74578539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).