2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide

C17H20N4O4 — CID 20893483

IUPAC2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1nn(CC(=O)NCC2CCCO2)c(=O)c2cc3occc3n12
InChIInChI=1S/C17H20N4O4/c1-2-15-19-20(10-16(22)18-9-11-4-3-6-24-11)17(23)13-8-14-12(21(13)15)5-7-25-14/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,22)
InChIKeyUFGVDBAWWWNZSH-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.10
Rot. Bonds5

About 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 20893483) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID20893483
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1nn(CC(=O)NCC2CCCO2)c(=O)c2cc3occc3n12
InChIInChI=1S/C17H20N4O4/c1-2-15-19-20(10-16(22)18-9-11-4-3-6-24-11)17(23)13-8-14-12(21(13)15)5-7-25-14/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,22)
InChIKeyUFGVDBAWWWNZSH-UHFFFAOYSA-N
XLogP1.10
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-(12-ethyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20884311
2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-methoxy-N-methylacetamide
CID 16674227
2-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7335205
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51589163
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7663548
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7663555
2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672128
2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-phenylpropyl)acetamide
CID 20893452
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42109652
N-[2-(2-methoxyphenyl)ethyl]-2-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 95806883
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53006772

Frequently Asked Questions

What is the IUPAC name of 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 20893483) is 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide is CCc1nn(CC(=O)NCC2CCCO2)c(=O)c2cc3occc3n12.
What is the InChIKey of 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is UFGVDBAWWWNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-2-15-19-20(10-16(22)18-9-11-4-3-6-24-11)17(23)13-8-14-12(21(13)15)5-7-25-14/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,18,22).
What are the key properties of 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-ethyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 20893483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).