N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide

C30H30FN3O6 — CID 68618480

About N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide

N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 68618480) has the molecular formula C30H30FN3O6 and a molecular weight of 547.58 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 68618480
• Molecular Formula: C30H30FN3O6
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.21
• IUPAC Name: N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(CC(C(=O)Nc2ccc(C3CC3)cc2F)N2C(=O)NC(c3ccc(OCCO)cc3)C2=O)cc1
• InChI: InChI=1S/C30H30FN3O6/c1-39-22-9-2-18(3-10-22)16-26(28(36)32-25-13-8-21(17-24(25)31)19-4-5-19)34-29(37)27(33-30(34)38)20-6-11-23(12-7-20)40-15-14-35/h2-3,6-13,17,19,26-27,35H,4-5,14-16H2,1H3,(H,32,36)(H,33,38)
• InChIKey: XVUAZFMGDPGEIB-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
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 N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide (CID 68618480) is N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide.

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

The canonical SMILES for N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CC(C(=O)Nc2ccc(C3CC3)cc2F)N2C(=O)NC(c3ccc(OCCO)cc3)C2=O)cc1.

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

The InChIKey is XVUAZFMGDPGEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O6/c1-39-22-9-2-18(3-10-22)16-26(28(36)32-25-13-8-21(17-24(25)31)19-4-5-19)34-29(37)27(33-30(34)38)20-6-11-23(12-7-20)40-15-14-35/h2-3,6-13,17,19,26-27,35H,4-5,14-16H2,1H3,(H,32,36)(H,33,38).

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

N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 547.58 g/mol, XLogP of 3.93, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 68618480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).