N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide

C31H41N5O4Si — CID 23929824

About N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide

N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 23929824) has the molecular formula C31H41N5O4Si and a molecular weight of 575.79 g/mol. Its IUPAC name is N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 23929824
• Molecular Formula: C31H41N5O4Si
• Molecular Weight: 575.79 g/mol
• Exact Mass: 575.29
• IUPAC Name: N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCn2cc(CCO)nn2)O[C@H]1CCc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1
• InChI: InChI=1S/C31H41N5O4Si/c1-21-28(40-29(31(21)41(2,3)39)13-15-36-20-25(14-16-37)34-35-36)12-11-22-7-6-8-24(17-22)33-30(38)18-23-19-32-27-10-5-4-9-26(23)27/h4-10,17,19-21,28-29,31-32,37,39H,11-16,18H2,1-3H3,(H,33,38)/t21-,28+,29-,31+/m1/s1
• InChIKey: LEGPTOWFVJZRGJ-RHGDGHNZSA-N
• XLogP: 4.47
• TPSA: 125.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.79
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
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-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide (CID 23929824) is N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCn2cc(CCO)nn2)O[C@H]1CCc1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1.

What is the InChIKey of N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The InChIKey is LEGPTOWFVJZRGJ-RHGDGHNZSA-N. The full InChI is InChI=1S/C31H41N5O4Si/c1-21-28(40-29(31(21)41(2,3)39)13-15-36-20-25(14-16-37)34-35-36)12-11-22-7-6-8-24(17-22)33-30(38)18-23-19-32-27-10-5-4-9-26(23)27/h4-10,17,19-21,28-29,31-32,37,39H,11-16,18H2,1-3H3,(H,33,38)/t21-,28+,29-,31+/m1/s1.

What are the key properties of N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide?

N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 575.79 g/mol, XLogP of 4.47, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3-methyloxolan-2-yl]ethyl]phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23929824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).