N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide

C19H20N4O3 — CID 91908628

IUPACN-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)c1
InChIInChI=1S/C19H20N4O3/c1-12-9-15-18(19(25)22-8-4-7-16(22)21-15)23(12)11-17(24)20-13-5-3-6-14(10-13)26-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24)
InChIKeyUOLMIOZLDKBCAA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.10
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide

N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide (PubChem CID 91908628) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide
PubChem CID91908628
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)c1
InChIInChI=1S/C19H20N4O3/c1-12-9-15-18(19(25)22-8-4-7-16(22)21-15)23(12)11-17(24)20-13-5-3-6-14(10-13)26-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24)
InChIKeyUOLMIOZLDKBCAA-UHFFFAOYSA-N
XLogP2.10
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide (CID 91908628) is N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide is COc1cccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCC4)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide?
The InChIKey is UOLMIOZLDKBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-9-15-18(19(25)22-8-4-7-16(22)21-15)23(12)11-17(24)20-13-5-3-6-14(10-13)26-2/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide?
N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-4-yl)acetamide is sourced from PubChem (CID 91908628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).