N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C23H26N4O3 — CID 34205711

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 34205711) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
• PubChem CID: 34205711
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
• SMILES: CC[C@]1(C)NC(=O)N(NC(=O)CN2Cc3ccccc3[C@H](c3ccccc3)C2)C1=O
• InChI: InChI=1S/C23H26N4O3/c1-3-23(2)21(29)27(22(30)24-23)25-20(28)15-26-13-17-11-7-8-12-18(17)19(14-26)16-9-5-4-6-10-16/h4-12,19H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t19-,23-/m0/s1
• InChIKey: XMIAUYVDHOVIRH-CVDCTZTESA-N
• XLogP: 2.39
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
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-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 34205711) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is CC[C@]1(C)NC(=O)N(NC(=O)CN2Cc3ccccc3[C@H](c3ccccc3)C2)C1=O.

What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

The InChIKey is XMIAUYVDHOVIRH-CVDCTZTESA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-23(2)21(29)27(22(30)24-23)25-20(28)15-26-13-17-11-7-8-12-18(17)19(14-26)16-9-5-4-6-10-16/h4-12,19H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t19-,23-/m0/s1.

What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 34205711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).