N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide

C31H39NO6Si — CID 23788485

About N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide

N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide (PubChem CID 23788485) has the molecular formula C31H39NO6Si and a molecular weight of 549.74 g/mol. Its IUPAC name is N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide
• PubChem CID: 23788485
• Molecular Formula: C31H39NO6Si
• Molecular Weight: 549.74 g/mol
• Exact Mass: 549.25
• IUPAC Name: N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](OC)[C@H](C)[C@@H](C(CCO)[Si](C)(C)c2ccc(OC)cc2)O3)cc1
• InChI: InChI=1S/C31H39NO6Si/c1-20-29(37-4)26-19-22(32-31(34)21-7-10-23(35-2)11-8-21)9-16-27(26)38-30(20)28(17-18-33)39(5,6)25-14-12-24(36-3)13-15-25/h7-16,19-20,28-30,33H,17-18H2,1-6H3,(H,32,34)/t20-,28?,29-,30-/m0/s1
• InChIKey: MRFASHBGMSLQFW-NWIKCGLXSA-N
• XLogP: 5.41
• TPSA: 86.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.74
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide?

The IUPAC name of N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide (CID 23788485) is N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide.

What is the SMILES notation for N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide?

The canonical SMILES for N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)[C@@H](OC)[C@H](C)[C@@H](C(CCO)[Si](C)(C)c2ccc(OC)cc2)O3)cc1.

What is the InChIKey of N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide?

The InChIKey is MRFASHBGMSLQFW-NWIKCGLXSA-N. The full InChI is InChI=1S/C31H39NO6Si/c1-20-29(37-4)26-19-22(32-31(34)21-7-10-23(35-2)11-8-21)9-16-27(26)38-30(20)28(17-18-33)39(5,6)25-14-12-24(36-3)13-15-25/h7-16,19-20,28-30,33H,17-18H2,1-6H3,(H,32,34)/t20-,28?,29-,30-/m0/s1.

What are the key properties of N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide?

N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide has a molecular weight of 549.74 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S,4S)-2-[3-hydroxy-1-[(4-methoxyphenyl)-dimethylsilyl]propyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide is sourced from PubChem (CID 23788485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).