N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide

C29H37N3O5 — CID 11627581

About N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide

N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide (PubChem CID 11627581) has the molecular formula C29H37N3O5 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
• PubChem CID: 11627581
• Molecular Formula: C29H37N3O5
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.27
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide
• SMILES: CCOc1ccccc1CNC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)n2)c1
• InChI: InChI=1S/C29H37N3O5/c1-4-37-27-11-6-5-10-22(27)17-30-28(36)15-20-8-7-9-21(14-20)16-29(2,3)31-18-26(35)23-12-13-25(34)24(19-33)32-23/h5-14,26,31,33-35H,4,15-19H2,1-3H3,(H,30,36)
• InChIKey: PLCSGZXQUVOOTJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 123.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide (CID 11627581) is N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide is CCOc1ccccc1CNC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)c(CO)n2)c1.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide?

The InChIKey is PLCSGZXQUVOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O5/c1-4-37-27-11-6-5-10-22(27)17-30-28(36)15-20-8-7-9-21(14-20)16-29(2,3)31-18-26(35)23-12-13-25(34)24(19-33)32-23/h5-14,26,31,33-35H,4,15-19H2,1-3H3,(H,30,36).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide?

N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide has a molecular weight of 507.63 g/mol, XLogP of 3.18, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]acetamide is sourced from PubChem (CID 11627581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).