[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

C19H25F2N4O3+ — CID 8688036

About [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 8688036) has the molecular formula C19H25F2N4O3+ and a molecular weight of 395.43 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
• PubChem CID: 8688036
• Molecular Formula: C19H25F2N4O3+
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.19
• IUPAC Name: [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F)C2=O
• InChI: InChI=1S/C19H24F2N4O3/c1-11-5-7-19(8-6-11)17(27)25(18(28)23-19)24-16(26)10-22-12(2)14-4-3-13(20)9-15(14)21/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H,23,28)(H,24,26)/p+1/t11?,12-,19?/m1/s1
• InChIKey: JGHTVFBVPBAIHX-DKXWOSEQSA-O
• XLogP: 1.12
• TPSA: 95.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?

The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (CID 8688036) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.

What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?

The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F)C2=O.

What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?

The InChIKey is JGHTVFBVPBAIHX-DKXWOSEQSA-O. The full InChI is InChI=1S/C19H24F2N4O3/c1-11-5-7-19(8-6-11)17(27)25(18(28)23-19)24-16(26)10-22-12(2)14-4-3-13(20)9-15(14)21/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H,23,28)(H,24,26)/p+1/t11?,12-,19?/m1/s1.

What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 395.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8688036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).