N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide

C16H15N5O2 — CID 6461169

IUPACN-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2nc3c(c(=O)n2[nH]1)CCC3
InChIInChI=1S/C16H15N5O2/c22-13(9-10-5-2-1-3-6-10)18-15-19-16-17-12-8-4-7-11(12)14(23)21(16)20-15/h1-3,5-6H,4,7-9H2,(H2,17,18,19,20,22)
InChIKeyPJALJTDRPHFSDI-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.09
Rot. Bonds3

About N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide

N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide (PubChem CID 6461169) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide
PubChem CID6461169
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2nc3c(c(=O)n2[nH]1)CCC3
InChIInChI=1S/C16H15N5O2/c22-13(9-10-5-2-1-3-6-10)18-15-19-16-17-12-8-4-7-11(12)14(23)21(16)20-15/h1-3,5-6H,4,7-9H2,(H2,17,18,19,20,22)
InChIKeyPJALJTDRPHFSDI-UHFFFAOYSA-N
XLogP1.09
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide?
The IUPAC name of N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide (CID 6461169) is N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2nc3c(c(=O)n2[nH]1)CCC3.
What is the InChIKey of N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide?
The InChIKey is PJALJTDRPHFSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-13(9-10-5-2-1-3-6-10)18-15-19-16-17-12-8-4-7-11(12)14(23)21(16)20-15/h1-3,5-6H,4,7-9H2,(H2,17,18,19,20,22).
What are the key properties of N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide?
N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide has a molecular weight of 309.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-11-yl)-2-phenylacetamide is sourced from PubChem (CID 6461169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).