N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide

C18H22N6O2 — CID 66504802

IUPACN-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O
InChIInChI=1S/C18H22N6O2/c1-11(2)16(25)22-23-9-8-14-13(17(23)26)10-19-18-20-15(21-24(14)18)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,22,25)
InChIKeyJGNVFQITBQDAMM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.21
Rot. Bonds3

About N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide

N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide (PubChem CID 66504802) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide
PubChem CID66504802
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O
InChIInChI=1S/C18H22N6O2/c1-11(2)16(25)22-23-9-8-14-13(17(23)26)10-19-18-20-15(21-24(14)18)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,22,25)
InChIKeyJGNVFQITBQDAMM-UHFFFAOYSA-N
XLogP2.21
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide?
The IUPAC name of N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide (CID 66504802) is N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide.
What is the SMILES notation for N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide?
The canonical SMILES for N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide is CC(C)C(=O)Nn1ccc2c(cnc3nc(C4CCCCC4)nn32)c1=O.
What is the InChIKey of N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide?
The InChIKey is JGNVFQITBQDAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(2)16(25)22-23-9-8-14-13(17(23)26)10-19-18-20-15(21-24(14)18)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,22,25).
What are the key properties of N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide?
N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide has a molecular weight of 354.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-2-methylpropanamide is sourced from PubChem (CID 66504802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).