2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane

C34H41FN4O7 — CID 143739055

About 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane

2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane (PubChem CID 143739055) has the molecular formula C34H41FN4O7 and a molecular weight of 636.72 g/mol. Its IUPAC name is 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane.

Molecular Properties

• Compound Name: 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
• PubChem CID: 143739055
• Molecular Formula: C34H41FN4O7
• Molecular Weight: 636.72 g/mol
• Exact Mass: 636.30
• IUPAC Name: 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane
• SMILES: CC.Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N(CCO)CCO)cc3)C2=O)c(F)c1
• InChI: InChI=1S/C32H35FN4O7.C2H6/c1-20-8-13-26(25(33)18-20)34-30(41)29(21(2)22-6-4-3-5-7-22)37-31(42)28(35-32(37)43)23-9-11-24(12-10-23)44-19-27(40)36(14-16-38)15-17-39;1-2/h3-13,18,21,28-29,38-39H,14-17,19H2,1-2H3,(H,34,41)(H,35,43);1-2H3/t21?,28-,29?;/m1./s1
• InChIKey: VMUFOXHOIIRRRN-RVRJTGKKSA-N
• XLogP: 3.76
• TPSA: 148.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.72
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane?

The IUPAC name of 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane (CID 143739055) is 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane.

What is the SMILES notation for 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane?

The canonical SMILES for 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane is CC.Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N(CCO)CCO)cc3)C2=O)c(F)c1.

What is the InChIKey of 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane?

The InChIKey is VMUFOXHOIIRRRN-RVRJTGKKSA-N. The full InChI is InChI=1S/C32H35FN4O7.C2H6/c1-20-8-13-26(25(33)18-20)34-30(41)29(21(2)22-6-4-3-5-7-22)37-31(42)28(35-32(37)43)23-9-11-24(12-10-23)44-19-27(40)36(14-16-38)15-17-39;1-2/h3-13,18,21,28-29,38-39H,14-17,19H2,1-2H3,(H,34,41)(H,35,43);1-2H3/t21?,28-,29?;/m1./s1.

What are the key properties of 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane?

2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane has a molecular weight of 636.72 g/mol, XLogP of 3.76, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-[4-[2-[bis(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)-3-phenylbutanamide;ethane is sourced from PubChem (CID 143739055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).