N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H24ClN3O6 — CID 2500302

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2500302) has the molecular formula C22H24ClN3O6 and a molecular weight of 461.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 2500302
• Molecular Formula: C22H24ClN3O6
• Molecular Weight: 461.90 g/mol
• Exact Mass: 461.14
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O
• InChI: InChI=1S/C22H24ClN3O6/c1-12-8-15(17(31-4)10-14(12)23)24-19(27)11-26-20(28)22(2,25-21(26)29)13-6-7-16(30-3)18(9-13)32-5/h6-10H,11H2,1-5H3,(H,24,27)(H,25,29)/t22-/m1/s1
• InChIKey: SMBIDHYHXRIGES-JOCHJYFZSA-N
• XLogP: 3.08
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.90
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2500302) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)c(OC)c2)C1=O.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is SMBIDHYHXRIGES-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24ClN3O6/c1-12-8-15(17(31-4)10-14(12)23)24-19(27)11-26-20(28)22(2,25-21(26)29)13-6-7-16(30-3)18(9-13)32-5/h6-10H,11H2,1-5H3,(H,24,27)(H,25,29)/t22-/m1/s1.

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 461.90 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2500302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).