N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide

C30H37ClN4O7 — CID 59929614

About N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide

N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 59929614) has the molecular formula C30H37ClN4O7 and a molecular weight of 601.10 g/mol. Its IUPAC name is N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

• Compound Name: N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide
• PubChem CID: 59929614
• Molecular Formula: C30H37ClN4O7
• Molecular Weight: 601.10 g/mol
• Exact Mass: 600.24
• IUPAC Name: N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide
• SMILES: CCCCOc1cc(Cl)c(NC(C)=O)cc1NC(=O)C(C(=O)C(C)(C)C)N1C(=O)C(OC)N(Cc2ccccc2)C1=O
• InChI: InChI=1S/C30H37ClN4O7/c1-7-8-14-42-23-15-20(31)21(32-18(2)36)16-22(23)33-26(38)24(25(37)30(3,4)5)35-27(39)28(41-6)34(29(35)40)17-19-12-10-9-11-13-19/h9-13,15-16,24,28H,7-8,14,17H2,1-6H3,(H,32,36)(H,33,38)
• InChIKey: VXPHWYKKSAZHSM-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 134.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.10
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide?

The IUPAC name of N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide (CID 59929614) is N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide.

What is the SMILES notation for N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide?

The canonical SMILES for N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide is CCCCOc1cc(Cl)c(NC(C)=O)cc1NC(=O)C(C(=O)C(C)(C)C)N1C(=O)C(OC)N(Cc2ccccc2)C1=O.

What is the InChIKey of N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide?

The InChIKey is VXPHWYKKSAZHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN4O7/c1-7-8-14-42-23-15-20(31)21(32-18(2)36)16-22(23)33-26(38)24(25(37)30(3,4)5)35-27(39)28(41-6)34(29(35)40)17-19-12-10-9-11-13-19/h9-13,15-16,24,28H,7-8,14,17H2,1-6H3,(H,32,36)(H,33,38).

What are the key properties of N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide?

N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 601.10 g/mol, XLogP of 4.84, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 59929614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).