(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide

C32H35N3O4 — CID 25309029

About (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide

(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide (PubChem CID 25309029) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide
• PubChem CID: 25309029
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide
• SMILES: COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2OC)c1
• InChI: InChI=1S/C32H35N3O4/c1-38-25-14-10-11-22(19-25)31(32(37)34-24-12-4-3-5-13-24)35(28-17-8-9-18-29(28)39-2)30(36)20-23-21-33-27-16-7-6-15-26(23)27/h6-11,14-19,21,24,31,33H,3-5,12-13,20H2,1-2H3,(H,34,37)/t31-/m1/s1
• InChIKey: XPPQVOPLFYJXDJ-WJOKGBTCSA-N
• XLogP: 5.95
• TPSA: 83.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide (CID 25309029) is (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide.

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

The canonical SMILES for (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide is COc1cccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2OC)c1.

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

The InChIKey is XPPQVOPLFYJXDJ-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-38-25-14-10-11-22(19-25)31(32(37)34-24-12-4-3-5-13-24)35(28-17-8-9-18-29(28)39-2)30(36)20-23-21-33-27-16-7-6-15-26(23)27/h6-11,14-19,21,24,31,33H,3-5,12-13,20H2,1-2H3,(H,34,37)/t31-/m1/s1.

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

(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide has a molecular weight of 525.65 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 25309029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).