(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide

C30H33N3O4 — CID 25309510

About (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide

(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide (PubChem CID 25309510) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide
• PubChem CID: 25309510
• Molecular Formula: C30H33N3O4
• Molecular Weight: 499.61 g/mol
• Exact Mass: 499.25
• IUPAC Name: (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide
• SMILES: COc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1
• InChI: InChI=1S/C30H33N3O4/c1-20-16-17-27(37-20)29(30(35)32-22-10-4-3-5-11-22)33(25-14-8-9-15-26(25)36-2)28(34)18-21-19-31-24-13-7-6-12-23(21)24/h6-9,12-17,19,22,29,31H,3-5,10-11,18H2,1-2H3,(H,32,35)/t29-/m0/s1
• InChIKey: ZRJBVJRRMLQQEI-LJAQVGFWSA-N
• XLogP: 5.84
• TPSA: 87.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.61
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide?

The IUPAC name of (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide (CID 25309510) is (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide.

What is the SMILES notation for (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide?

The canonical SMILES for (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide is COc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1.

What is the InChIKey of (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide?

The InChIKey is ZRJBVJRRMLQQEI-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-20-16-17-27(37-20)29(30(35)32-22-10-4-3-5-11-22)33(25-14-8-9-15-26(25)36-2)28(34)18-21-19-31-24-13-7-6-12-23(21)24/h6-9,12-17,19,22,29,31H,3-5,10-11,18H2,1-2H3,(H,32,35)/t29-/m0/s1.

What are the key properties of (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide?

(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 499.61 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 25309510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).