N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide

C35H41N3O5 — CID 122607442

About N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide

N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide (PubChem CID 122607442) has the molecular formula C35H41N3O5 and a molecular weight of 583.73 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide
• PubChem CID: 122607442
• Molecular Formula: C35H41N3O5
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.30
• IUPAC Name: N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide
• SMILES: COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(OC)c(C)c2C)cc1OC
• InChI: InChI=1S/C35H41N3O5/c1-22-23(2)30(41-3)18-16-27(22)34(35(40)37-25-11-7-6-8-12-25)38(26-15-17-31(42-4)32(20-26)43-5)33(39)19-24-21-36-29-14-10-9-13-28(24)29/h9-10,13-18,20-21,25,34,36H,6-8,11-12,19H2,1-5H3,(H,37,40)
• InChIKey: IXSZBIJLHVRCPW-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 92.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide?

The IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide (CID 122607442) is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide.

What is the SMILES notation for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide?

The canonical SMILES for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide is COc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(OC)c(C)c2C)cc1OC.

What is the InChIKey of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide?

The InChIKey is IXSZBIJLHVRCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O5/c1-22-23(2)30(41-3)18-16-27(22)34(35(40)37-25-11-7-6-8-12-25)38(26-15-17-31(42-4)32(20-26)43-5)33(39)19-24-21-36-29-14-10-9-13-28(24)29/h9-10,13-18,20-21,25,34,36H,6-8,11-12,19H2,1-5H3,(H,37,40).

What are the key properties of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide?

N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide has a molecular weight of 583.73 g/mol, XLogP of 6.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 122607442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).