N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide

C18H20N4O2 — CID 651820

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1
InChIInChI=1S/C18H20N4O2/c1-11(2)18(23)19-15-10-17-16(9-12(15)3)20-22(21-17)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,23)
InChIKeyDLLSRTZFILREBO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide (PubChem CID 651820) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
PubChem CID651820
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1
InChIInChI=1S/C18H20N4O2/c1-11(2)18(23)19-15-10-17-16(9-12(15)3)20-22(21-17)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,23)
InChIKeyDLLSRTZFILREBO-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide (CID 651820) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide is COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The InChIKey is DLLSRTZFILREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11(2)18(23)19-15-10-17-16(9-12(15)3)20-22(21-17)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,23).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 651820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).