N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide

C35H48N2O4Si — CID 71169409

About N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide (PubChem CID 71169409) has the molecular formula C35H48N2O4Si and a molecular weight of 588.87 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide
• PubChem CID: 71169409
• Molecular Formula: C35H48N2O4Si
• Molecular Weight: 588.87 g/mol
• Exact Mass: 588.34
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide
• SMILES: C[C@H](Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](CC(C)(C)[Si](C)(C)O)c1ccc(O)c(CO)c1
• InChI: InChI=1S/C35H48N2O4Si/c1-24(36-22-31(21-35(2,3)42(4,5)41)29-13-14-33(39)30(18-29)23-38)15-25-9-8-10-26(16-25)17-34(40)37-32-19-27-11-6-7-12-28(27)20-32/h6-14,16,18,24,31-32,36,38-39,41H,15,17,19-23H2,1-5H3,(H,37,40)/t24-,31+/m1/s1
• InChIKey: PTBXMKRQVXMTCF-XJFCNFDWSA-N
• XLogP: 5.38
• TPSA: 101.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.87
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide (CID 71169409) is N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide is C[C@H](Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NC[C@H](CC(C)(C)[Si](C)(C)O)c1ccc(O)c(CO)c1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide?

The InChIKey is PTBXMKRQVXMTCF-XJFCNFDWSA-N. The full InChI is InChI=1S/C35H48N2O4Si/c1-24(36-22-31(21-35(2,3)42(4,5)41)29-13-14-33(39)30(18-29)23-38)15-25-9-8-10-26(16-25)17-34(40)37-32-19-27-11-6-7-12-28(27)20-32/h6-14,16,18,24,31-32,36,38-39,41H,15,17,19-23H2,1-5H3,(H,37,40)/t24-,31+/m1/s1.

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide?

N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide has a molecular weight of 588.87 g/mol, XLogP of 5.38, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[3-[(2R)-2-[[(2R)-4-[hydroxy(dimethyl)silyl]-2-[4-hydroxy-3-(hydroxymethyl)phenyl]-4-methylpentyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 71169409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).