N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide

C26H31Cl2N3O3 — CID 3642074

About N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide

N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide (PubChem CID 3642074) has the molecular formula C26H31Cl2N3O3 and a molecular weight of 504.46 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
• PubChem CID: 3642074
• Molecular Formula: C26H31Cl2N3O3
• Molecular Weight: 504.46 g/mol
• Exact Mass: 503.17
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide
• SMILES: COCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C
• InChI: InChI=1S/C26H31Cl2N3O3/c1-18(2)14-31(26(33)17-34-3)16-25(32)30(15-19-8-9-22(27)23(28)12-19)11-10-20-13-29-24-7-5-4-6-21(20)24/h4-9,12-13,18,29H,10-11,14-17H2,1-3H3
• InChIKey: VMVALMULNOLESK-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.46
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide (CID 3642074) is N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide is COCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?

The InChIKey is VMVALMULNOLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3O3/c1-18(2)14-31(26(33)17-34-3)16-25(32)30(15-19-8-9-22(27)23(28)12-19)11-10-20-13-29-24-7-5-4-6-21(20)24/h4-9,12-13,18,29H,10-11,14-17H2,1-3H3.

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide?

N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 504.46 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 3642074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).