N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide

C23H27N3O3 — CID 45369902

About N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide

N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide (PubChem CID 45369902) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide.

Molecular Properties

• Compound Name: N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide
• PubChem CID: 45369902
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide
• SMILES: O=C(CCCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)NCc1ccccc1
• InChI: InChI=1S/C23H27N3O3/c27-21(24-13-17-6-2-1-3-7-17)9-5-10-22(28)25-14-18-12-19(16-25)20-8-4-11-23(29)26(20)15-18/h1-4,6-8,11,18-19H,5,9-10,12-16H2,(H,24,27)
• InChIKey: SUYAENJDAQRJDH-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide?

The IUPAC name of N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide (CID 45369902) is N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide.

What is the SMILES notation for N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide?

The canonical SMILES for N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide is O=C(CCCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)NCc1ccccc1.

What is the InChIKey of N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide?

The InChIKey is SUYAENJDAQRJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(24-13-17-6-2-1-3-7-17)9-5-10-22(28)25-14-18-12-19(16-25)20-8-4-11-23(29)26(20)15-18/h1-4,6-8,11,18-19H,5,9-10,12-16H2,(H,24,27).

What are the key properties of N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide?

N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide has a molecular weight of 393.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-oxo-5-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)pentanamide is sourced from PubChem (CID 45369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).