2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide

C28H36N4O4 — CID 11214051

About 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide

2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide (PubChem CID 11214051) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
• PubChem CID: 11214051
• Molecular Formula: C28H36N4O4
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.27
• IUPAC Name: 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide
• SMILES: CN(CC(O)c1cccc(O)c1)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(N)nc2)c1
• InChI: InChI=1S/C28H36N4O4/c1-28(2,31-17-24(34)22-10-11-26(29)30-16-22)15-20-7-4-6-19(12-20)13-27(36)32(3)18-25(35)21-8-5-9-23(33)14-21/h4-12,14,16,24-25,31,33-35H,13,15,17-18H2,1-3H3,(H2,29,30)/t24-,25?/m0/s1
• InChIKey: GANZKMBUEUASFX-SKCDSABHSA-N
• XLogP: 2.75
• TPSA: 131.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?

The IUPAC name of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide (CID 11214051) is 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide.

What is the SMILES notation for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?

The canonical SMILES for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide is CN(CC(O)c1cccc(O)c1)C(=O)Cc1cccc(CC(C)(C)NC[C@H](O)c2ccc(N)nc2)c1.

What is the InChIKey of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?

The InChIKey is GANZKMBUEUASFX-SKCDSABHSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-28(2,31-17-24(34)22-10-11-26(29)30-16-22)15-20-7-4-6-19(12-20)13-27(36)32(3)18-25(35)21-8-5-9-23(33)14-21/h4-12,14,16,24-25,31,33-35H,13,15,17-18H2,1-3H3,(H2,29,30)/t24-,25?/m0/s1.

What are the key properties of 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide?

2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 492.62 g/mol, XLogP of 2.75, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 11214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).