N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide

C41H48N2O7Si — CID 23845905

About N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide

N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide (PubChem CID 23845905) has the molecular formula C41H48N2O7Si and a molecular weight of 708.93 g/mol. Its IUPAC name is N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide
• PubChem CID: 23845905
• Molecular Formula: C41H48N2O7Si
• Molecular Weight: 708.93 g/mol
• Exact Mass: 708.32
• IUPAC Name: N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-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(CC(=O)N2Cc4ccccc4C[C@H]2CO)[Si](C)(C)c2ccc(OC)cc2)O3)cc1
• InChI: InChI=1S/C41H48N2O7Si/c1-26-39(49-4)35-22-30(42-41(46)27-11-14-32(47-2)15-12-27)13-20-36(35)50-40(26)37(51(5,6)34-18-16-33(48-3)17-19-34)23-38(45)43-24-29-10-8-7-9-28(29)21-31(43)25-44/h7-20,22,26,31,37,39-40,44H,21,23-25H2,1-6H3,(H,42,46)/t26-,31+,37?,39-,40-/m1/s1
• InChIKey: LCSVXZPOHJMVKS-CXPCZCCMSA-N
• XLogP: 6.36
• TPSA: 106.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.93
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide (CID 23845905) is N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide.

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

The canonical SMILES for N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-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(CC(=O)N2Cc4ccccc4C[C@H]2CO)[Si](C)(C)c2ccc(OC)cc2)O3)cc1.

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

The InChIKey is LCSVXZPOHJMVKS-CXPCZCCMSA-N. The full InChI is InChI=1S/C41H48N2O7Si/c1-26-39(49-4)35-22-30(42-41(46)27-11-14-32(47-2)15-12-27)13-20-36(35)50-40(26)37(51(5,6)34-18-16-33(48-3)17-19-34)23-38(45)43-24-29-10-8-7-9-28(29)21-31(43)25-44/h7-20,22,26,31,37,39-40,44H,21,23-25H2,1-6H3,(H,42,46)/t26-,31+,37?,39-,40-/m1/s1.

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

N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide has a molecular weight of 708.93 g/mol, XLogP of 6.36, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R)-2-[3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-[(4-methoxyphenyl)-dimethylsilyl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-4-methoxybenzamide is sourced from PubChem (CID 23845905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).