4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C16H18N2O3 — CID 54676927

IUPAC4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC(C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C16H18N2O3/c1-9(2)17-15(20)12-14(19)11-7-3-5-10-6-4-8-18(13(10)11)16(12)21/h3,5,7,9,19H,4,6,8H2,1-2H3,(H,17,20)
InChIKeyJGPMRRFYEISBCR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.79
Rot. Bonds2

About 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54676927) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54676927
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCC(C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C16H18N2O3/c1-9(2)17-15(20)12-14(19)11-7-3-5-10-6-4-8-18(13(10)11)16(12)21/h3,5,7,9,19H,4,6,8H2,1-2H3,(H,17,20)
InChIKeyJGPMRRFYEISBCR-UHFFFAOYSA-N
XLogP1.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54676927) is 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CC(C)NC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is JGPMRRFYEISBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)17-15(20)12-14(19)11-7-3-5-10-6-4-8-18(13(10)11)16(12)21/h3,5,7,9,19H,4,6,8H2,1-2H3,(H,17,20).
What are the key properties of 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54676927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).