sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide

C26H29N2NaO5 — CID 173129608

About sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide

sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide (PubChem CID 173129608) has the molecular formula C26H29N2NaO5 and a molecular weight of 472.52 g/mol. Its IUPAC name is sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
• PubChem CID: 173129608
• Molecular Formula: C26H29N2NaO5
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.20
• IUPAC Name: sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
• SMILES: O=C(N[C@@H](Cc1ccc(OCO)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1.[H-].[Na+]
• InChI: InChI=1S/C26H28N2O5.Na.H/c29-17-22(15-19-7-3-1-4-8-19)27-26(32)24(28-25(31)21-9-5-2-6-10-21)16-20-11-13-23(14-12-20)33-18-30;;/h1-14,22,24,29-30H,15-18H2,(H,27,32)(H,28,31);;/q;+1;-1/t22-,24-;;/m0../s1
• InChIKey: HWZDOOBRFMMSEN-SBKRINIZSA-N
• XLogP: -0.81
• TPSA: 107.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	-0.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?

The IUPAC name of sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide (CID 173129608) is sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?

The canonical SMILES for sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide is O=C(N[C@@H](Cc1ccc(OCO)cc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1.[H-].[Na+].

What is the InChIKey of sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?

The InChIKey is HWZDOOBRFMMSEN-SBKRINIZSA-N. The full InChI is InChI=1S/C26H28N2O5.Na.H/c29-17-22(15-19-7-3-1-4-8-19)27-26(32)24(28-25(31)21-9-5-2-6-10-21)16-20-11-13-23(14-12-20)33-18-30;;/h1-14,22,24,29-30H,15-18H2,(H,27,32)(H,28,31);;/q;+1;-1/t22-,24-;;/m0../s1.

What are the key properties of sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide?

sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 472.52 g/mol, XLogP of -0.81, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 173129608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).