N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

C24H28F2N4O4 — CID 58802798

About N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide (PubChem CID 58802798) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• PubChem CID: 58802798
• Molecular Formula: C24H28F2N4O4
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.21
• IUPAC Name: N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• SMILES: CCc1cccc(CNC[C@H](O)[C@@H](Cc2cc(F)cc(F)c2)NC(=O)CC2NC(=O)NC2=O)c1
• InChI: InChI=1S/C24H28F2N4O4/c1-2-14-4-3-5-15(6-14)12-27-13-21(31)19(9-16-7-17(25)10-18(26)8-16)28-22(32)11-20-23(33)30-24(34)29-20/h3-8,10,19-21,27,31H,2,9,11-13H2,1H3,(H,28,32)(H2,29,30,33,34)/t19-,20?,21+/m1/s1
• InChIKey: MKISIYBIFALPJV-TYVLQRECSA-N
• XLogP: 1.30
• TPSA: 119.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide?

The IUPAC name of N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide (CID 58802798) is N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide.

What is the SMILES notation for N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide?

The canonical SMILES for N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide is CCc1cccc(CNC[C@H](O)[C@@H](Cc2cc(F)cc(F)c2)NC(=O)CC2NC(=O)NC2=O)c1.

What is the InChIKey of N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide?

The InChIKey is MKISIYBIFALPJV-TYVLQRECSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-2-14-4-3-5-15(6-14)12-27-13-21(31)19(9-16-7-17(25)10-18(26)8-16)28-22(32)11-20-23(33)30-24(34)29-20/h3-8,10,19-21,27,31H,2,9,11-13H2,1H3,(H,28,32)(H2,29,30,33,34)/t19-,20?,21+/m1/s1.

What are the key properties of N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide?

N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide has a molecular weight of 474.51 g/mol, XLogP of 1.30, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 58802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).