N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide

C23H22N4O2 — CID 1395606

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-4-29-19-9-7-18(8-10-19)27-25-21-12-6-17(14-22(21)26-27)24-23(28)20-11-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyBNAQTWPYQLCTEW-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.69
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide (PubChem CID 1395606) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
PubChem CID1395606
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-4-29-19-9-7-18(8-10-19)27-25-21-12-6-17(14-22(21)26-27)24-23(28)20-11-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyBNAQTWPYQLCTEW-UHFFFAOYSA-N
XLogP4.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
5-bromo-2-chloro-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 1108421
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
CID 17219947
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 4550875
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
2,4-dimethyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 3470943

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide (CID 1395606) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide is CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide?
The InChIKey is BNAQTWPYQLCTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-4-29-19-9-7-18(8-10-19)27-25-21-12-6-17(14-22(21)26-27)24-23(28)20-11-5-15(2)13-16(20)3/h5-14H,4H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide has a molecular weight of 386.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 1395606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).