N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C24H23NO4 — CID 71063723

About N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 71063723) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• PubChem CID: 71063723
• Molecular Formula: C24H23NO4
• Molecular Weight: 389.45 g/mol
• Exact Mass: 389.16
• IUPAC Name: N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• SMILES: C[C@H](NC(=O)C1COc2ccccc2O1)C(O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H23NO4/c1-17(25-23(26)22-16-28-20-14-8-9-15-21(20)29-22)24(27,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,22,27H,16H2,1H3,(H,25,26)/t17-,22?/m0/s1
• InChIKey: WQLWUKWCAIKYBY-LBOXEOMUSA-N
• XLogP: 3.27
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The IUPAC name of N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 71063723) is N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C[C@H](NC(=O)C1COc2ccccc2O1)C(O)(c1ccccc1)c1ccccc1.

What is the InChIKey of N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

The InChIKey is WQLWUKWCAIKYBY-LBOXEOMUSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17(25-23(26)22-16-28-20-14-8-9-15-21(20)29-22)24(27,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,22,27H,16H2,1H3,(H,25,26)/t17-,22?/m0/s1.

What are the key properties of N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?

N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 71063723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).