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

C18H24N4O3 — CID 124838905

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

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 124838905) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 124838905
• Molecular Formula: C18H24N4O3
• Molecular Weight: 344.42 g/mol
• Exact Mass: 344.18
• IUPAC Name: 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)[C@H]2CCc3ccccc32)C1=O
• InChI: InChI=1S/C18H24N4O3/c1-4-18(2)16(24)22(17(25)19-18)20-15(23)11-21(3)14-10-9-12-7-5-6-8-13(12)14/h5-8,14H,4,9-11H2,1-3H3,(H,19,25)(H,20,23)/t14-,18+/m0/s1
• InChIKey: KPVYMRMGKJJNOZ-KBXCAEBGSA-N
• XLogP: 1.36
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.42
LogP ≤ 5	1.36
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 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 124838905) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC[C@@]1(C)NC(=O)N(NC(=O)CN(C)[C@H]2CCc3ccccc32)C1=O.

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

The InChIKey is KPVYMRMGKJJNOZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-18(2)16(24)22(17(25)19-18)20-15(23)11-21(3)14-10-9-12-7-5-6-8-13(12)14/h5-8,14H,4,9-11H2,1-3H3,(H,19,25)(H,20,23)/t14-,18+/m0/s1.

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

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 124838905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).