N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C26H29N3O4 — CID 55593147

About N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 55593147) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• PubChem CID: 55593147
• Molecular Formula: C26H29N3O4
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.22
• IUPAC Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)N(C3CC3)C3CCCc4ccccc43)C2=O)cc1
• InChI: InChI=1S/C26H29N3O4/c1-26(18-10-14-20(33-2)15-11-18)24(31)28(25(32)27-26)16-23(30)29(19-12-13-19)22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-11,14-15,19,22H,5,7,9,12-13,16H2,1-2H3,(H,27,32)
• InChIKey: KGRZCQTXCJKCIF-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The IUPAC name of N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 55593147) is N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The canonical SMILES for N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)N(C3CC3)C3CCCc4ccccc43)C2=O)cc1.

What is the InChIKey of N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The InChIKey is KGRZCQTXCJKCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-26(18-10-14-20(33-2)15-11-18)24(31)28(25(32)27-26)16-23(30)29(19-12-13-19)22-9-5-7-17-6-3-4-8-21(17)22/h3-4,6,8,10-11,14-15,19,22H,5,7,9,12-13,16H2,1-2H3,(H,27,32).

What are the key properties of N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 55593147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).