5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide

C33H40N4O5 — CID 18464238

About 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide

5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide (PubChem CID 18464238) has the molecular formula C33H40N4O5 and a molecular weight of 572.71 g/mol. Its IUPAC name is 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide.

Molecular Properties

• Compound Name: 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide
• PubChem CID: 18464238
• Molecular Formula: C33H40N4O5
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.30
• IUPAC Name: 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide
• SMILES: NC(=O)c1cc(O)ccc1CCC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1
• InChI: InChI=1S/C33H40N4O5/c34-32(40)29-22-27(38)13-11-26(29)12-16-31(39)36-30(33(41)35-17-20-37-18-5-2-6-19-37)21-24-9-14-28(15-10-24)42-23-25-7-3-1-4-8-25/h1,3-4,7-11,13-15,22,30,38H,2,5-6,12,16-21,23H2,(H2,34,40)(H,35,41)(H,36,39)
• InChIKey: FTAPGJLCCGSSDJ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 133.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide?

The IUPAC name of 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide (CID 18464238) is 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide.

What is the SMILES notation for 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide?

The canonical SMILES for 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide is NC(=O)c1cc(O)ccc1CCC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCN1CCCCC1.

What is the InChIKey of 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide?

The InChIKey is FTAPGJLCCGSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O5/c34-32(40)29-22-27(38)13-11-26(29)12-16-31(39)36-30(33(41)35-17-20-37-18-5-2-6-19-37)21-24-9-14-28(15-10-24)42-23-25-7-3-1-4-8-25/h1,3-4,7-11,13-15,22,30,38H,2,5-6,12,16-21,23H2,(H2,34,40)(H,35,41)(H,36,39).

What are the key properties of 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide?

5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide has a molecular weight of 572.71 g/mol, XLogP of 3.33, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-[3-oxo-3-[[1-oxo-3-(4-phenylmethoxyphenyl)-1-(2-piperidin-1-ylethylamino)propan-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 18464238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).