2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

C18H23N3O5 — CID 7595226

About 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide

2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (PubChem CID 7595226) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
• PubChem CID: 7595226
• Molecular Formula: C18H23N3O5
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.16
• IUPAC Name: 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
• SMILES: CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O
• InChI: InChI=1S/C18H23N3O5/c1-3-7-19-15(22)11-21-16(23)18(2,20-17(21)24)12-5-6-13-14(10-12)26-9-4-8-25-13/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,24)/t18-/m1/s1
• InChIKey: IETWOYHBJYDKTJ-GOSISDBHSA-N
• XLogP: 1.14
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.40
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide (CID 7595226) is 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide.

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

The canonical SMILES for 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O.

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

The InChIKey is IETWOYHBJYDKTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-3-7-19-15(22)11-21-16(23)18(2,20-17(21)24)12-5-6-13-14(10-12)26-9-4-8-25-13/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,24)/t18-/m1/s1.

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

2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide has a molecular weight of 361.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 7595226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).