N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide

C19H23N5O5 — CID 56502717

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide (PubChem CID 56502717) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
• PubChem CID: 56502717
• Molecular Formula: C19H23N5O5
• Molecular Weight: 401.42 g/mol
• Exact Mass: 401.17
• IUPAC Name: N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
• SMILES: CC1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O
• InChI: InChI=1S/C19H23N5O5/c1-12-9-13-10-14(24(28)29)5-6-15(13)22(12)11-16(25)21-23-17(26)19(20-18(23)27)7-3-2-4-8-19/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,27)(H,21,25)
• InChIKey: XFMJNTAPHQMCOG-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 124.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?

The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide (CID 56502717) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide.

What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?

The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide is CC1Cc2cc([N+](=O)[O-])ccc2N1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O.

What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?

The InChIKey is XFMJNTAPHQMCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-12-9-13-10-14(24(28)29)5-6-15(13)22(12)11-16(25)21-23-17(26)19(20-18(23)27)7-3-2-4-8-19/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,20,27)(H,21,25).

What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 56502717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).