ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen

C29H36FN3O4 — CID 143739058

About ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen

ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen (PubChem CID 143739058) has the molecular formula C29H36FN3O4 and a molecular weight of 509.62 g/mol. Its IUPAC name is ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen
• PubChem CID: 143739058
• Molecular Formula: C29H36FN3O4
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.27
• IUPAC Name: ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen
• SMILES: CC.COc1ccc(C2NC(=O)N([C@H](C(=O)Nc3ccc(C)cc3)[C@@H](C)c3ccccc3)C2=O)cc1F.[H][H].[H][H]
• InChI: InChI=1S/C27H26FN3O4.C2H6.2H2/c1-16-9-12-20(13-10-16)29-25(32)24(17(2)18-7-5-4-6-8-18)31-26(33)23(30-27(31)34)19-11-14-22(35-3)21(28)15-19;1-2;;/h4-15,17,23-24H,1-3H3,(H,29,32)(H,30,34);1-2H3;2*1H/t17-,23?,24-;;;/m0.../s1
• InChIKey: NBMKLWJBXVESGE-WVGBTOKLSA-N
• XLogP: 6.06
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
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 ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen?

The IUPAC name of ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen (CID 143739058) is ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen.

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

The canonical SMILES for ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen is CC.COc1ccc(C2NC(=O)N([C@H](C(=O)Nc3ccc(C)cc3)[C@@H](C)c3ccccc3)C2=O)cc1F.[H][H].[H][H].

What is the InChIKey of ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen?

The InChIKey is NBMKLWJBXVESGE-WVGBTOKLSA-N. The full InChI is InChI=1S/C27H26FN3O4.C2H6.2H2/c1-16-9-12-20(13-10-16)29-25(32)24(17(2)18-7-5-4-6-8-18)31-26(33)23(30-27(31)34)19-11-14-22(35-3)21(28)15-19;1-2;;/h4-15,17,23-24H,1-3H3,(H,29,32)(H,30,34);1-2H3;2*1H/t17-,23?,24-;;;/m0.../s1.

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

ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen has a molecular weight of 509.62 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(2S,3S)-2-[4-(3-fluoro-4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide;molecular hydrogen is sourced from PubChem (CID 143739058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).