2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C18H20N4O4 — CID 39333324

IUPAC2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc12
InChIInChI=1S/C18H20N4O4/c1-10-6-11(2)21-17-14(10)15-16(26-17)18(24)22(9-20-15)8-13(23)19-7-12-4-3-5-25-12/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyWSEGUKZPSSBIPL-LBPRGKRZSA-N
MW356.38 g/mol
LogP1.45
Rot. Bonds4

About 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 39333324) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID39333324
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc12
InChIInChI=1S/C18H20N4O4/c1-10-6-11(2)21-17-14(10)15-16(26-17)18(24)22(9-20-15)8-13(23)19-7-12-4-3-5-25-12/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyWSEGUKZPSSBIPL-LBPRGKRZSA-N
XLogP1.45
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42109652
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7080935
2-[5-(5-methylthiophen-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8782342
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7243877
2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41105866
N-[[(2R)-oxolan-2-yl]methyl]-2-(6-oxo-11-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 92883486
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478883
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
2-[6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97046496
2-[(5S)-5-ethyl-5-methyl-15-oxo-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-14-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 39314841

Frequently Asked Questions

What is the IUPAC name of 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 39333324) is 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cc(C)c2c(n1)oc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)cnc12.
What is the InChIKey of 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is WSEGUKZPSSBIPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-10-6-11(2)21-17-14(10)15-16(26-17)18(24)22(9-20-15)8-13(23)19-7-12-4-3-5-25-12/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,13-dimethyl-6-oxo-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 39333324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).