N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C17H24N4O3 — CID 7181621

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7181621) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 7181621
• Molecular Formula: C17H24N4O3
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.18
• IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@](C)(C#N)C1CC1)C2=O
• InChI: InChI=1S/C17H24N4O3/c1-11-5-3-4-8-17(11)14(23)21(15(24)20-17)9-13(22)19-16(2,10-18)12-6-7-12/h11-12H,3-9H2,1-2H3,(H,19,22)(H,20,24)/t11-,16+,17+/m1/s1
• InChIKey: VYRLVHYADVBNGY-NVGVWMPQSA-N
• XLogP: 1.30
• TPSA: 102.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	1.30
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-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 7181621) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@](C)(C#N)C1CC1)C2=O.

What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is VYRLVHYADVBNGY-NVGVWMPQSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-5-3-4-8-17(11)14(23)21(15(24)20-17)9-13(22)19-16(2,10-18)12-6-7-12/h11-12H,3-9H2,1-2H3,(H,19,22)(H,20,24)/t11-,16+,17+/m1/s1.

What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7181621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).