N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide

C24H24N4O3 — CID 1256763

IUPACN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1
InChIInChI=1S/C24H24N4O3/c1-5-16-6-8-18(9-7-16)28-26-22-10-15(2)21(14-23(22)27-28)25-24(29)17-11-19(30-3)13-20(12-17)31-4/h6-14H,5H2,1-4H3,(H,25,29)
InChIKeyUMODGXYTSFOTSY-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide

N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide (PubChem CID 1256763) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide
PubChem CID1256763
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide
SMILESCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1
InChIInChI=1S/C24H24N4O3/c1-5-16-6-8-18(9-7-16)28-26-22-10-15(2)21(14-23(22)27-28)25-24(29)17-11-19(30-3)13-20(12-17)31-4/h6-14H,5H2,1-4H3,(H,25,29)
InChIKeyUMODGXYTSFOTSY-UHFFFAOYSA-N
XLogP4.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide (CID 1256763) is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide is CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide?
The InChIKey is UMODGXYTSFOTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-5-16-6-8-18(9-7-16)28-26-22-10-15(2)21(14-23(22)27-28)25-24(29)17-11-19(30-3)13-20(12-17)31-4/h6-14H,5H2,1-4H3,(H,25,29).
What are the key properties of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide?
N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide has a molecular weight of 416.48 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1256763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).