3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide

C24H36N6O6 — CID 100981619

About 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide (PubChem CID 100981619) has the molecular formula C24H36N6O6 and a molecular weight of 504.59 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
• PubChem CID: 100981619
• Molecular Formula: C24H36N6O6
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.27
• IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
• SMILES: O=C(CCn1ccc(=O)[nH]c1=O)NCCCCCCCCCCNC(=O)CCn1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C24H36N6O6/c31-19(9-15-29-17-11-21(33)27-23(29)35)25-13-7-5-3-1-2-4-6-8-14-26-20(32)10-16-30-18-12-22(34)28-24(30)36/h11-12,17-18H,1-10,13-16H2,(H,25,31)(H,26,32)(H,27,33,35)(H,28,34,36)
• InChIKey: IHYPBYRCCMMSGB-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 167.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide?

The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide (CID 100981619) is 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide?

The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)NCCCCCCCCCCNC(=O)CCn1ccc(=O)[nH]c1=O.

What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide?

The InChIKey is IHYPBYRCCMMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O6/c31-19(9-15-29-17-11-21(33)27-23(29)35)25-13-7-5-3-1-2-4-6-8-14-26-20(32)10-16-30-18-12-22(34)28-24(30)36/h11-12,17-18H,1-10,13-16H2,(H,25,31)(H,26,32)(H,27,33,35)(H,28,34,36).

What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide?

3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide has a molecular weight of 504.59 g/mol, XLogP of 0.22, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide is sourced from PubChem (CID 100981619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).