7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

C17H24N4O3 — CID 140809862

IUPAC7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC(C)CN1CCC(C)N2C(=O)c3cc(=O)c(C(N)=O)cn3CC12
InChIInChI=1S/C17H24N4O3/c1-10(2)7-19-5-4-11(3)21-15(19)9-20-8-12(16(18)23)14(22)6-13(20)17(21)24/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H2,18,23)
InChIKeyOXAJCQISANBEMB-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.48
Rot. Bonds3

About 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (PubChem CID 140809862) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.

Molecular Properties

Compound Name7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
PubChem CID140809862
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
SMILESCC(C)CN1CCC(C)N2C(=O)c3cc(=O)c(C(N)=O)cn3CC12
InChIInChI=1S/C17H24N4O3/c1-10(2)7-19-5-4-11(3)21-15(19)9-20-8-12(16(18)23)14(22)6-13(20)17(21)24/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H2,18,23)
InChIKeyOXAJCQISANBEMB-UHFFFAOYSA-N
XLogP0.48
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The IUPAC name of 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide (CID 140809862) is 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide.
What is the SMILES notation for 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The canonical SMILES for 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is CC(C)CN1CCC(C)N2C(=O)c3cc(=O)c(C(N)=O)cn3CC12.
What is the InChIKey of 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
The InChIKey is OXAJCQISANBEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-10(2)7-19-5-4-11(3)21-15(19)9-20-8-12(16(18)23)14(22)6-13(20)17(21)24/h6,8,10-11,15H,4-5,7,9H2,1-3H3,(H2,18,23).
What are the key properties of 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide?
7-methyl-4-(2-methylpropyl)-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, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(2-methylpropyl)-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide is sourced from PubChem (CID 140809862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).