2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate

C32H40N2O2 — CID 15754546

About 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate

2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate (PubChem CID 15754546) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate.

Molecular Properties

• Compound Name: 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate
• PubChem CID: 15754546
• Molecular Formula: C32H40N2O2
• Molecular Weight: 484.68 g/mol
• Exact Mass: 484.31
• IUPAC Name: 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate
• SMILES: C[C@@](CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C32H40N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,9-10,12-13,21,23-26,30,33H,7-8,11,14-20H2,1H3,(H,34,35)/t23?,24?,25?,26?,30?,32-/m1/s1
• InChIKey: HJWDJTOGNAACSO-PVQYRTRSSA-N
• XLogP: 7.43
• TPSA: 54.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.68
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate?

The IUPAC name of 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate (CID 15754546) is 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate.

What is the SMILES notation for 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate?

The canonical SMILES for 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate is C[C@@](CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3.

What is the InChIKey of 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate?

The InChIKey is HJWDJTOGNAACSO-PVQYRTRSSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,9-10,12-13,21,23-26,30,33H,7-8,11,14-20H2,1H3,(H,34,35)/t23?,24?,25?,26?,30?,32-/m1/s1.

What are the key properties of 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate?

2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate has a molecular weight of 484.68 g/mol, XLogP of 7.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-adamantyl N-[(2R)-1-(1H-indol-3-yl)-2-methyl-6-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 15754546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).