N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide

C26H28N4O3 — CID 23793528

IUPACN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1
InChIInChI=1S/C26H28N4O3/c1-5-32-21-11-9-20(10-12-21)30-28-24-13-18(4)23(15-25(24)29-30)27-26(31)19-7-6-8-22(14-19)33-16-17(2)3/h6-15,17H,5,16H2,1-4H3,(H,27,31)
InChIKeyLWSKRHSJMRIFIH-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.41
Rot. Bonds8

About N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide (PubChem CID 23793528) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
PubChem CID23793528
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1
InChIInChI=1S/C26H28N4O3/c1-5-32-21-11-9-20(10-12-21)30-28-24-13-18(4)23(15-25(24)29-30)27-26(31)19-7-6-8-22(14-19)33-16-17(2)3/h6-15,17H,5,16H2,1-4H3,(H,27,31)
InChIKeyLWSKRHSJMRIFIH-UHFFFAOYSA-N
XLogP5.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
3-ethoxy-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1345438
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-propoxybenzamide
CID 3681711
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide
CID 3778009
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028
N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide
CID 1324228

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide (CID 23793528) is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide?
The InChIKey is LWSKRHSJMRIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-5-32-21-11-9-20(10-12-21)30-28-24-13-18(4)23(15-25(24)29-30)27-26(31)19-7-6-8-22(14-19)33-16-17(2)3/h6-15,17H,5,16H2,1-4H3,(H,27,31).
What are the key properties of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide?
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide has a molecular weight of 444.54 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 23793528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).