N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C27H32F2N4O7 — CID 98419948

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 98419948) has the molecular formula C27H32F2N4O7 and a molecular weight of 562.57 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 98419948
• Molecular Formula: C27H32F2N4O7
• Molecular Weight: 562.57 g/mol
• Exact Mass: 562.22
• IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O
• InChI: InChI=1S/C27H32F2N4O7/c1-4-38-21-15-20(32-10-12-37-13-11-32)22(39-5-2)14-19(21)30-23(34)16-33-24(35)27(3,31-26(33)36)17-6-8-18(9-7-17)40-25(28)29/h6-9,14-15,25H,4-5,10-13,16H2,1-3H3,(H,30,34)(H,31,36)/t27-/m0/s1
• InChIKey: KMFIOTPYILHHNO-MHZLTWQESA-N
• XLogP: 3.33
• TPSA: 118.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 98419948) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O.

What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is KMFIOTPYILHHNO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H32F2N4O7/c1-4-38-21-15-20(32-10-12-37-13-11-32)22(39-5-2)14-19(21)30-23(34)16-33-24(35)27(3,31-26(33)36)17-6-8-18(9-7-17)40-25(28)29/h6-9,14-15,25H,4-5,10-13,16H2,1-3H3,(H,30,34)(H,31,36)/t27-/m0/s1.

What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 562.57 g/mol, XLogP of 3.33, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 98419948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).