(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide

C29H30FN3O3 — CID 1432663

About (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide

(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide (PubChem CID 1432663) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
• PubChem CID: 1432663
• Molecular Formula: C29H30FN3O3
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.23
• IUPAC Name: (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
• SMILES: O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C29H30FN3O3/c30-22-14-12-20(13-15-22)28(29(35)32-23-7-2-1-3-8-23)33(19-24-9-6-16-36-24)27(34)17-21-18-31-26-11-5-4-10-25(21)26/h4-6,9-16,18,23,28,31H,1-3,7-8,17,19H2,(H,32,35)/t28-/m1/s1
• InChIKey: XQLQZEDOYVFSLL-MUUNZHRXSA-N
• XLogP: 5.66
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide?

The IUPAC name of (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide (CID 1432663) is (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide.

What is the SMILES notation for (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide?

The canonical SMILES for (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide is O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)Cc1c[nH]c2ccccc12.

What is the InChIKey of (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide?

The InChIKey is XQLQZEDOYVFSLL-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H30FN3O3/c30-22-14-12-20(13-15-22)28(29(35)32-23-7-2-1-3-8-23)33(19-24-9-6-16-36-24)27(34)17-21-18-31-26-11-5-4-10-25(21)26/h4-6,9-16,18,23,28,31H,1-3,7-8,17,19H2,(H,32,35)/t28-/m1/s1.

What are the key properties of (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide?

(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide has a molecular weight of 487.58 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 1432663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).