2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C26H30N4O6 — CID 24630096

About 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 24630096) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
• PubChem CID: 24630096
• Molecular Formula: C26H30N4O6
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.22
• IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
• SMILES: CC1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1=O
• InChI: InChI=1S/C26H30N4O6/c1-26(19-5-8-21-22(15-19)36-12-2-11-35-21)24(32)30(25(33)28-26)17-23(31)27-20-6-3-18(4-7-20)16-29-9-13-34-14-10-29/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,31)(H,28,33)
• InChIKey: UVCHEZCSOMRFLW-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?

The IUPAC name of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 24630096) is 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

What is the SMILES notation for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?

The canonical SMILES for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is CC1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1=O.

What is the InChIKey of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?

The InChIKey is UVCHEZCSOMRFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-26(19-5-8-21-22(15-19)36-12-2-11-35-21)24(32)30(25(33)28-26)17-23(31)27-20-6-3-18(4-7-20)16-29-9-13-34-14-10-29/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,31)(H,28,33).

What are the key properties of 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?

2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 494.55 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 24630096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).