4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide

C24H40N6O7 — CID 163614544

About 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide

4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide (PubChem CID 163614544) has the molecular formula C24H40N6O7 and a molecular weight of 524.62 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide.

Molecular Properties

• Compound Name: 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
• PubChem CID: 163614544
• Molecular Formula: C24H40N6O7
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.30
• IUPAC Name: 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide
• SMILES: CC(C)CCCNC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN1C(=O)CC(C)C1=O
• InChI: InChI=1S/C24H40N6O7/c1-16(2)6-4-9-25-19(32)8-10-26-20(33)13-28-22(35)15-29-21(34)14-27-18(31)7-5-11-30-23(36)12-17(3)24(30)37/h16-17H,4-15H2,1-3H3,(H,25,32)(H,26,33)(H,27,31)(H,28,35)(H,29,34)
• InChIKey: HIVXZEZIQJWKTA-UHFFFAOYSA-N
• XLogP: -1.43
• TPSA: 182.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The IUPAC name of 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide (CID 163614544) is 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide.

What is the SMILES notation for 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The canonical SMILES for 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide is CC(C)CCCNC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN1C(=O)CC(C)C1=O.

What is the InChIKey of 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?

The InChIKey is HIVXZEZIQJWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N6O7/c1-16(2)6-4-9-25-19(32)8-10-26-20(33)13-28-22(35)15-29-21(34)14-27-18(31)7-5-11-30-23(36)12-17(3)24(30)37/h16-17H,4-15H2,1-3H3,(H,25,32)(H,26,33)(H,27,31)(H,28,35)(H,29,34).

What are the key properties of 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide?

4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide has a molecular weight of 524.62 g/mol, XLogP of -1.43, 17 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[[2-[[2-[[3-(4-methylpentylamino)-3-oxopropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 163614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).