2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide

C23H22N4O4 — CID 4885764

IUPAC2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)cc1
InChIInChI=1S/C23H22N4O4/c1-13-4-6-15(7-5-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28)
InChIKeyYNGFSIKLJSPWSG-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.34
Rot. Bonds3

About 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide

2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide (PubChem CID 4885764) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide
PubChem CID4885764
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)cc1
InChIInChI=1S/C23H22N4O4/c1-13-4-6-15(7-5-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28)
InChIKeyYNGFSIKLJSPWSG-UHFFFAOYSA-N
XLogP3.34
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide (CID 4885764) is 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc3c(oc4nc5c(cc43)COC(C)(C)C5)c2=O)cc1.
What is the InChIKey of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is YNGFSIKLJSPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13-4-6-15(7-5-13)25-18(28)10-27-12-24-19-16-8-14-11-30-23(2,3)9-17(14)26-21(16)31-20(19)22(27)29/h4-8,12H,9-11H2,1-3H3,(H,25,28).
What are the key properties of 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide?
2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-15-oxo-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).