N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C19H34N4O3 — CID 119996220

About N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 119996220) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 119996220
• Molecular Formula: C19H34N4O3
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.26
• IUPAC Name: N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)CN)C2=O
• InChI: InChI=1S/C19H34N4O3/c1-5-18(3,4)14-6-8-19(9-7-14)16(25)23(17(26)22-19)12-15(24)21-11-13(2)10-20/h13-14H,5-12,20H2,1-4H3,(H,21,24)(H,22,26)
• InChIKey: CZYULIJIKDBAFG-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 104.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.51
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	3
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-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 119996220) is N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(C)CN)C2=O.

What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is CZYULIJIKDBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-5-18(3,4)14-6-8-19(9-7-14)16(25)23(17(26)22-19)12-15(24)21-11-13(2)10-20/h13-14H,5-12,20H2,1-4H3,(H,21,24)(H,22,26).

What are the key properties of N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 119996220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).