N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide

C22H31N3O3 — CID 3403651

About N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide

N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide (PubChem CID 3403651) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide
• PubChem CID: 3403651
• Molecular Formula: C22H31N3O3
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.24
• IUPAC Name: N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide
• SMILES: O=C(CCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)NCC1CCCCC1
• InChI: InChI=1S/C22H31N3O3/c26-20(23-12-16-5-2-1-3-6-16)9-10-21(27)24-13-17-11-18(15-24)19-7-4-8-22(28)25(19)14-17/h4,7-8,16-18H,1-3,5-6,9-15H2,(H,23,26)
• InChIKey: OZEXBBPZFBWWLK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide (CID 3403651) is N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide.

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

The canonical SMILES for N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide is O=C(CCC(=O)N1CC2CC(C1)c1cccc(=O)n1C2)NCC1CCCCC1.

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

The InChIKey is OZEXBBPZFBWWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20(23-12-16-5-2-1-3-6-16)9-10-21(27)24-13-17-11-18(15-24)19-7-4-8-22(28)25(19)14-17/h4,7-8,16-18H,1-3,5-6,9-15H2,(H,23,26).

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

N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide has a molecular weight of 385.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-4-oxo-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)butanamide is sourced from PubChem (CID 3403651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).