(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C32H34FN3O6 — CID 68620152

About (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 68620152) has the molecular formula C32H34FN3O6 and a molecular weight of 575.64 g/mol. Its IUPAC name is (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 68620152
• Molecular Formula: C32H34FN3O6
• Molecular Weight: 575.64 g/mol
• Exact Mass: 575.24
• IUPAC Name: (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: C[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)N1C(=O)NC(c2ccc(OCCOCCO)cc2)C1=O
• InChI: InChI=1S/C32H34FN3O6/c1-20(21-5-3-2-4-6-21)29(30(38)34-27-14-11-24(19-26(27)33)22-7-8-22)36-31(39)28(35-32(36)40)23-9-12-25(13-10-23)42-18-17-41-16-15-37/h2-6,9-14,19-20,22,28-29,37H,7-8,15-18H2,1H3,(H,34,38)(H,35,40)/t20-,28?,29-/m0/s1
• InChIKey: OXRJYNHIFWFENQ-YMEISZJLSA-N
• XLogP: 4.49
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.64
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 68620152) is (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

What is the SMILES notation for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The canonical SMILES for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is C[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)N1C(=O)NC(c2ccc(OCCOCCO)cc2)C1=O.

What is the InChIKey of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The InChIKey is OXRJYNHIFWFENQ-YMEISZJLSA-N. The full InChI is InChI=1S/C32H34FN3O6/c1-20(21-5-3-2-4-6-21)29(30(38)34-27-14-11-24(19-26(27)33)22-7-8-22)36-31(39)28(35-32(36)40)23-9-12-25(13-10-23)42-18-17-41-16-15-37/h2-6,9-14,19-20,22,28-29,37H,7-8,15-18H2,1H3,(H,34,38)(H,35,40)/t20-,28?,29-/m0/s1.

What are the key properties of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 575.64 g/mol, XLogP of 4.49, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 68620152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).