N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide

C35H36N6O4 — CID 23985589

About N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide

N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 23985589) has the molecular formula C35H36N6O4 and a molecular weight of 604.71 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 23985589
• Molecular Formula: C35H36N6O4
• Molecular Weight: 604.71 g/mol
• Exact Mass: 604.28
• IUPAC Name: N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide
• SMILES: C[C@@H](/C=C/CCn1cc(C(CO)c2ccccc2)nn1)[C@]1(O)C(=O)N(C)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc21
• InChI: InChI=1S/C35H36N6O4/c1-23(10-8-9-17-41-21-31(38-39-41)28(22-42)24-11-4-3-5-12-24)35(45)29-19-26(15-16-32(29)40(2)34(35)44)37-33(43)18-25-20-36-30-14-7-6-13-27(25)30/h3-8,10-16,19-21,23,28,36,42,45H,9,17-18,22H2,1-2H3,(H,37,43)/b10-8+/t23-,28?,35+/m0/s1
• InChIKey: SVDAGCMRWJCPDJ-DCPTVXBSSA-N
• XLogP: 4.51
• TPSA: 136.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.71
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide (CID 23985589) is N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide?

The canonical SMILES for N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide is C[C@@H](/C=C/CCn1cc(C(CO)c2ccccc2)nn1)[C@]1(O)C(=O)N(C)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc21.

What is the InChIKey of N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide?

The InChIKey is SVDAGCMRWJCPDJ-DCPTVXBSSA-N. The full InChI is InChI=1S/C35H36N6O4/c1-23(10-8-9-17-41-21-31(38-39-41)28(22-42)24-11-4-3-5-12-24)35(45)29-19-26(15-16-32(29)40(2)34(35)44)37-33(43)18-25-20-36-30-14-7-6-13-27(25)30/h3-8,10-16,19-21,23,28,36,42,45H,9,17-18,22H2,1-2H3,(H,37,43)/b10-8+/t23-,28?,35+/m0/s1.

What are the key properties of N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide?

N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 604.71 g/mol, XLogP of 4.51, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-hydroxy-3-[(E,2S)-6-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]hex-3-en-2-yl]-1-methyl-2-oxoindol-5-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23985589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).