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

C19H34N4O3 — CID 120829700

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

N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 120829700) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 120829700
• Molecular Formula: C19H34N4O3
• Molecular Weight: 366.51 g/mol
• Exact Mass: 366.26
• IUPAC Name: N-[2-(methylamino)propyl]-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)NC)C2=O
• InChI: InChI=1S/C19H34N4O3/c1-6-18(3,4)14-7-9-19(10-8-14)16(25)23(17(26)22-19)12-15(24)21-11-13(2)20-5/h13-14,20H,6-12H2,1-5H3,(H,21,24)(H,22,26)
• InChIKey: MOORHKKADIZRMT-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 90.54 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	1.63
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-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 120829700) is N-[2-(methylamino)propyl]-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-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2-(methylamino)propyl]-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)NC)C2=O.

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

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

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

N-[2-(methylamino)propyl]-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 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 120829700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).