N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide

C29H39N3O5 — CID 155036974

About N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide

N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide (PubChem CID 155036974) has the molecular formula C29H39N3O5 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide.

Molecular Properties

• Compound Name: N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide
• PubChem CID: 155036974
• Molecular Formula: C29H39N3O5
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.29
• IUPAC Name: N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide
• SMILES: CC1(CCC(=O)NCCCCCNc2cccc3c2C(=O)CCC(C2CCC(=O)NC2=O)C3=O)CCC1
• InChI: InChI=1S/C29H39N3O5/c1-29(14-6-15-29)16-13-24(34)31-18-4-2-3-17-30-22-8-5-7-21-26(22)23(33)11-9-19(27(21)36)20-10-12-25(35)32-28(20)37/h5,7-8,19-20,30H,2-4,6,9-18H2,1H3,(H,31,34)(H,32,35,37)
• InChIKey: DTAZZMBAJKFKHQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 121.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide?

The IUPAC name of N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide (CID 155036974) is N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide.

What is the SMILES notation for N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide?

The canonical SMILES for N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide is CC1(CCC(=O)NCCCCCNc2cccc3c2C(=O)CCC(C2CCC(=O)NC2=O)C3=O)CCC1.

What is the InChIKey of N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide?

The InChIKey is DTAZZMBAJKFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O5/c1-29(14-6-15-29)16-13-24(34)31-18-4-2-3-17-30-22-8-5-7-21-26(22)23(33)11-9-19(27(21)36)20-10-12-25(35)32-28(20)37/h5,7-8,19-20,30H,2-4,6,9-18H2,1H3,(H,31,34)(H,32,35,37).

What are the key properties of N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide?

N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide has a molecular weight of 509.65 g/mol, XLogP of 4.18, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide is sourced from PubChem (CID 155036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).