N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide

C21H24N4O3 — CID 91908712

IUPACN-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C)cc2nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C21H24N4O3/c1-14-12-16-20(21(27)24-11-7-3-4-10-18(24)22-16)25(14)13-19(26)23-15-8-5-6-9-17(15)28-2/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,23,26)
InChIKeyLUZPLBQMXOBAPS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.88
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide

N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide (PubChem CID 91908712) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide
PubChem CID91908712
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(C)cc2nc3n(c(=O)c21)CCCCC3
InChIInChI=1S/C21H24N4O3/c1-14-12-16-20(21(27)24-11-7-3-4-10-18(24)22-16)25(14)13-19(26)23-15-8-5-6-9-17(15)28-2/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,23,26)
InChIKeyLUZPLBQMXOBAPS-UHFFFAOYSA-N
XLogP2.88
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide (CID 91908712) is N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide is COc1ccccc1NC(=O)Cn1c(C)cc2nc3n(c(=O)c21)CCCCC3.
What is the InChIKey of N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide?
The InChIKey is LUZPLBQMXOBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-12-16-20(21(27)24-11-7-3-4-10-18(24)22-16)25(14)13-19(26)23-15-8-5-6-9-17(15)28-2/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide?
N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)acetamide is sourced from PubChem (CID 91908712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).