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

C21H34N4O3 — CID 60514700

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

N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 60514700) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 60514700
• Molecular Formula: C21H34N4O3
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.26
• IUPAC Name: N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCN(CC(C)C#N)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O
• InChI: InChI=1S/C21H34N4O3/c1-6-20(4,5)16-8-10-21(11-9-16)18(27)25(19(28)23-21)14-17(26)24(7-2)13-15(3)12-22/h15-16H,6-11,13-14H2,1-5H3,(H,23,28)
• InChIKey: ZNJXHVOEQGQFKR-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
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-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 60514700) is N-(2-cyanopropyl)-N-ethyl-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-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCN(CC(C)C#N)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O.

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

The InChIKey is ZNJXHVOEQGQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-6-20(4,5)16-8-10-21(11-9-16)18(27)25(19(28)23-21)14-17(26)24(7-2)13-15(3)12-22/h15-16H,6-11,13-14H2,1-5H3,(H,23,28).

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

N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanopropyl)-N-ethyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 60514700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).