3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide

C22H20N4O3 — CID 1204224

IUPAC3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1
InChIInChI=1S/C22H20N4O3/c1-14-11-20-21(25-26(24-20)16-7-9-17(28-2)10-8-16)13-19(14)23-22(27)15-5-4-6-18(12-15)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyNGNCANCWWMOIND-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.00
Rot. Bonds5

About 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide

3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide (PubChem CID 1204224) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
PubChem CID1204224
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1
InChIInChI=1S/C22H20N4O3/c1-14-11-20-21(25-26(24-20)16-7-9-17(28-2)10-8-16)13-19(14)23-22(27)15-5-4-6-18(12-15)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyNGNCANCWWMOIND-UHFFFAOYSA-N
XLogP4.00
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094105
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17162617
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide (CID 1204224) is 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide is COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1.
What is the InChIKey of 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The InChIKey is NGNCANCWWMOIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-11-20-21(25-26(24-20)16-7-9-17(28-2)10-8-16)13-19(14)23-22(27)15-5-4-6-18(12-15)29-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide is sourced from PubChem (CID 1204224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).