ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen

C32H52FN5O4 — CID 143528483

About ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen

ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen (PubChem CID 143528483) has the molecular formula C32H52FN5O4 and a molecular weight of 589.80 g/mol. Its IUPAC name is ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen
• PubChem CID: 143528483
• Molecular Formula: C32H52FN5O4
• Molecular Weight: 589.80 g/mol
• Exact Mass: 589.40
• IUPAC Name: ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen
• SMILES: CC.CC.Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)NC(c3ccc(OCCN4CCN(C)CC4)cc3)C2=O)c(F)c1.[H][H].[H][H]
• InChI: InChI=1S/C28H36FN5O4.2C2H6.2H2/c1-18(2)25(26(35)30-23-10-5-19(3)17-22(23)29)34-27(36)24(31-28(34)37)20-6-8-21(9-7-20)38-16-15-33-13-11-32(4)12-14-33;2*1-2;;/h5-10,17-18,24-25H,11-16H2,1-4H3,(H,30,35)(H,31,37);2*1-2H3;2*1H/t24?,25-;;;;/m0..../s1
• InChIKey: KINAJAGMGCGCPA-DJUKFXJJSA-N
• XLogP: 5.56
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.80
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen?

The IUPAC name of ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen (CID 143528483) is ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen.

What is the SMILES notation for ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen?

The canonical SMILES for ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen is CC.CC.Cc1ccc(NC(=O)[C@H](C(C)C)N2C(=O)NC(c3ccc(OCCN4CCN(C)CC4)cc3)C2=O)c(F)c1.[H][H].[H][H].

What is the InChIKey of ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen?

The InChIKey is KINAJAGMGCGCPA-DJUKFXJJSA-N. The full InChI is InChI=1S/C28H36FN5O4.2C2H6.2H2/c1-18(2)25(26(35)30-23-10-5-19(3)17-22(23)29)34-27(36)24(31-28(34)37)20-6-8-21(9-7-20)38-16-15-33-13-11-32(4)12-14-33;2*1-2;;/h5-10,17-18,24-25H,11-16H2,1-4H3,(H,30,35)(H,31,37);2*1-2H3;2*1H/t24?,25-;;;;/m0..../s1.

What are the key properties of ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen?

ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen has a molecular weight of 589.80 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2S)-N-(2-fluoro-4-methylphenyl)-3-methyl-2-[4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide;molecular hydrogen is sourced from PubChem (CID 143528483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).