N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide

C25H35N5O5 — CID 143361931

About N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide

N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 143361931) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 143361931
• Molecular Formula: C25H35N5O5
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.26
• IUPAC Name: N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide
• SMILES: CN(C)C(=O)C(NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C)c1ccccc1
• InChI: InChI=1S/C25H35N5O5/c1-29(2)25(35)21(17-8-5-4-6-9-17)28-20(31)15-26-24(34)22(32)18(14-16-11-12-16)27-23(33)19-10-7-13-30(19)3/h4-6,8-9,16,18-19,21H,7,10-15H2,1-3H3,(H,26,34)(H,27,33)(H,28,31)
• InChIKey: ALQUZZMHPURRPR-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide?

The IUPAC name of N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide (CID 143361931) is N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide is CN(C)C(=O)C(NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C)c1ccccc1.

What is the InChIKey of N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide?

The InChIKey is ALQUZZMHPURRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5/c1-29(2)25(35)21(17-8-5-4-6-9-17)28-20(31)15-26-24(34)22(32)18(14-16-11-12-16)27-23(33)19-10-7-13-30(19)3/h4-6,8-9,16,18-19,21H,7,10-15H2,1-3H3,(H,26,34)(H,27,33)(H,28,31).

What are the key properties of N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide?

N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of -0.00, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-4-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143361931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).