N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C32H34Cl2N4O5 — CID 5228288

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 5228288) has the molecular formula C32H34Cl2N4O5 and a molecular weight of 625.55 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 5228288
• Molecular Formula: C32H34Cl2N4O5
• Molecular Weight: 625.55 g/mol
• Exact Mass: 624.19
• IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: COc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)CN2c1ccccc1
• InChI: InChI=1S/C32H34Cl2N4O5/c1-42-26-9-6-10-27(43-2)29(26)30(40)36-17-14-32(15-18-36)31(41)37(21-38(32)24-7-4-3-5-8-24)20-28(39)35-16-13-22-11-12-23(33)19-25(22)34/h3-12,19H,13-18,20-21H2,1-2H3,(H,35,39)
• InChIKey: JMVDGPJHYPTAIM-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.55
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 5228288) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCCc1ccc(Cl)cc1Cl)CN2c1ccccc1.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is JMVDGPJHYPTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34Cl2N4O5/c1-42-26-9-6-10-27(43-2)29(26)30(40)36-17-14-32(15-18-36)31(41)37(21-38(32)24-7-4-3-5-8-24)20-28(39)35-16-13-22-11-12-23(33)19-25(22)34/h3-12,19H,13-18,20-21H2,1-2H3,(H,35,39).

What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 625.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 5228288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).