3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

C26H28N4O4 — CID 3861196

IUPAC3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc(OCC)c1OCC
InChIInChI=1S/C26H28N4O4/c1-5-32-23-14-18(15-24(33-6-2)25(23)34-7-3)26(31)27-19-10-13-21-22(16-19)29-30(28-21)20-11-8-17(4)9-12-20/h8-16H,5-7H2,1-4H3,(H,27,31)
InChIKeyCKCMVGBZFTXUBA-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.18
Rot. Bonds9

About 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 3861196) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
PubChem CID3861196
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc(OCC)c1OCC
InChIInChI=1S/C26H28N4O4/c1-5-32-23-14-18(15-24(33-6-2)25(23)34-7-3)26(31)27-19-10-13-21-22(16-19)29-30(28-21)20-11-8-17(4)9-12-20/h8-16H,5-7H2,1-4H3,(H,27,31)
InChIKeyCKCMVGBZFTXUBA-UHFFFAOYSA-N
XLogP5.18
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (CID 3861196) is 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is CCOc1cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is CKCMVGBZFTXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-5-32-23-14-18(15-24(33-6-2)25(23)34-7-3)26(31)27-19-10-13-21-22(16-19)29-30(28-21)20-11-8-17(4)9-12-20/h8-16H,5-7H2,1-4H3,(H,27,31).
What are the key properties of 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 3861196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).