(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide

C17H26N4O3 — CID 56858233

IUPAC(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1
InChIInChI=1S/C17H26N4O3/c22-15-13-7-4-8-20(13)16(23)14-11-19(9-10-21(14)15)17(24)18-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,18,24)/t13-,14-/m1/s1
InChIKeyVVFPZMXKCKWEOR-ZIAGYGMSSA-N
MW334.42 g/mol
LogP0.55
Rot. Bonds1

About (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide

(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide (PubChem CID 56858233) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide.

Molecular Properties

Compound Name(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
PubChem CID56858233
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1
InChIInChI=1S/C17H26N4O3/c22-15-13-7-4-8-20(13)16(23)14-11-19(9-10-21(14)15)17(24)18-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,18,24)/t13-,14-/m1/s1
InChIKeyVVFPZMXKCKWEOR-ZIAGYGMSSA-N
XLogP0.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The IUPAC name of (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide (CID 56858233) is (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide.
What is the SMILES notation for (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The canonical SMILES for (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide is O=C(NC1CCCCC1)N1CCN2C(=O)[C@H]3CCCN3C(=O)[C@H]2C1.
What is the InChIKey of (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
The InChIKey is VVFPZMXKCKWEOR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-15-13-7-4-8-20(13)16(23)14-11-19(9-10-21(14)15)17(24)18-12-5-2-1-3-6-12/h12-14H,1-11H2,(H,18,24)/t13-,14-/m1/s1.
What are the key properties of (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide?
(3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9R)-N-cyclohexyl-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide is sourced from PubChem (CID 56858233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).