N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C32H34N4O6 — CID 143528374

About N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 143528374) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 143528374
• Molecular Formula: C32H34N4O6
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1
• InChI: InChI=1S/C32H34N4O6/c1-21-8-12-25(13-9-21)33-30(38)29(22(2)23-6-4-3-5-7-23)36-31(39)28(34-32(36)40)24-10-14-26(15-11-24)42-20-27(37)35-16-18-41-19-17-35/h3-15,22,28-29H,16-20H2,1-2H3,(H,33,38)(H,34,40)/t22?,28-,29?/m1/s1
• InChIKey: MXDDZTKWKHPVCC-UVQWTNAYSA-N
• XLogP: 3.64
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
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-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 143528374) is N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

What is the SMILES notation for N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The canonical SMILES for N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1.

What is the InChIKey of N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The InChIKey is MXDDZTKWKHPVCC-UVQWTNAYSA-N. The full InChI is InChI=1S/C32H34N4O6/c1-21-8-12-25(13-9-21)33-30(38)29(22(2)23-6-4-3-5-7-23)36-31(39)28(34-32(36)40)24-10-14-26(15-11-24)42-20-27(37)35-16-18-41-19-17-35/h3-15,22,28-29H,16-20H2,1-2H3,(H,33,38)(H,34,40)/t22?,28-,29?/m1/s1.

What are the key properties of N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 570.65 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-2-[(4R)-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 143528374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).