N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H23N3O5 — CID 7962137

About N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7962137) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 7962137
• Molecular Formula: C18H23N3O5
• Molecular Weight: 361.40 g/mol
• Exact Mass: 361.16
• IUPAC Name: N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O
• InChI: InChI=1S/C18H23N3O5/c1-4-11(2)19-15(22)10-21-16(23)18(3,20-17(21)24)12-5-6-13-14(9-12)26-8-7-25-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,24)/t11-,18+/m0/s1
• InChIKey: HHAKFLHOIADLEE-BBATYDOGSA-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 N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7962137) is N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O.

What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is HHAKFLHOIADLEE-BBATYDOGSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-11(2)19-15(22)10-21-16(23)18(3,20-17(21)24)12-5-6-13-14(9-12)26-8-7-25-13/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,24)/t11-,18+/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide 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 N-[(2S)-butan-2-yl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7962137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).