[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C24H32ClN3O5 — CID 55311510

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 55311510) has the molecular formula C24H32ClN3O5 and a molecular weight of 477.99 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 55311510
• Molecular Formula: C24H32ClN3O5
• Molecular Weight: 477.99 g/mol
• Exact Mass: 477.20
• IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• SMILES: CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1cccc(Cl)c1)C2=O
• InChI: InChI=1S/C24H32ClN3O5/c1-4-23(2,3)17-8-10-24(11-9-17)21(31)28(22(32)27-24)14-20(30)33-15-19(29)26-13-16-6-5-7-18(25)12-16/h5-7,12,17H,4,8-11,13-15H2,1-3H3,(H,26,29)(H,27,32)
• InChIKey: LYKAVWPSBZBFDE-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.99
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 55311510) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1cccc(Cl)c1)C2=O.

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

The InChIKey is LYKAVWPSBZBFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O5/c1-4-23(2,3)17-8-10-24(11-9-17)21(31)28(22(32)27-24)14-20(30)33-15-19(29)26-13-16-6-5-7-18(25)12-16/h5-7,12,17H,4,8-11,13-15H2,1-3H3,(H,26,29)(H,27,32).

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

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 477.99 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 55311510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).