2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide

C31H33N3O6 — CID 70492998

About 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide

2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide (PubChem CID 70492998) has the molecular formula C31H33N3O6 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide.

Molecular Properties

• Compound Name: 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide
• PubChem CID: 70492998
• Molecular Formula: C31H33N3O6
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.24
• IUPAC Name: 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide
• SMILES: Cn1c(-c2ccc(OCC(O)CNCC(Cc3ccccc3)Oc3ccc(O)c(C(N)=O)c3)cc2)cccc1=O
• InChI: InChI=1S/C31H33N3O6/c1-34-28(8-5-9-30(34)37)22-10-12-24(13-11-22)39-20-23(35)18-33-19-26(16-21-6-3-2-4-7-21)40-25-14-15-29(36)27(17-25)31(32)38/h2-15,17,23,26,33,35-36H,16,18-20H2,1H3,(H2,32,38)
• InChIKey: DRLOKYMBMHNUTR-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 136.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide?

The IUPAC name of 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide (CID 70492998) is 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide.

What is the SMILES notation for 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide?

The canonical SMILES for 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide is Cn1c(-c2ccc(OCC(O)CNCC(Cc3ccccc3)Oc3ccc(O)c(C(N)=O)c3)cc2)cccc1=O.

What is the InChIKey of 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide?

The InChIKey is DRLOKYMBMHNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O6/c1-34-28(8-5-9-30(34)37)22-10-12-24(13-11-22)39-20-23(35)18-33-19-26(16-21-6-3-2-4-7-21)40-25-14-15-29(36)27(17-25)31(32)38/h2-15,17,23,26,33,35-36H,16,18-20H2,1H3,(H2,32,38).

What are the key properties of 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide?

2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide has a molecular weight of 543.62 g/mol, XLogP of 2.88, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-[1-[[2-hydroxy-3-[4-(1-methyl-6-oxo-2-pyridinyl)phenoxy]propyl]amino]-3-phenylpropan-2-yl]oxybenzamide is sourced from PubChem (CID 70492998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).