4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C17H24N4O3 — CID 164809827

About 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 164809827) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

• Compound Name: 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• PubChem CID: 164809827
• Molecular Formula: C17H24N4O3
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.18
• IUPAC Name: 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
• SMILES: CC(C)CCN1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC12
• InChI: InChI=1S/C17H24N4O3/c1-11(2)4-7-19-5-3-6-21-15(19)10-20-9-12(16(18)23)14(22)8-13(20)17(21)24/h8-9,11,15H,3-7,10H2,1-2H3,(H2,18,23)
• InChIKey: AGCAZGUSQNITPD-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 88.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The IUPAC name of 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 164809827) is 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

What is the SMILES notation for 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The canonical SMILES for 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC(C)CCN1CCCN2C(=O)c3cc(=O)c(C(N)=O)cn3CC12.

What is the InChIKey of 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

The InChIKey is AGCAZGUSQNITPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11(2)4-7-19-5-3-6-21-15(19)10-20-9-12(16(18)23)14(22)8-13(20)17(21)24/h8-9,11,15H,3-7,10H2,1-2H3,(H2,18,23).

What are the key properties of 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?

4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methylbutyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 164809827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).