4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

C24H22N4O3 — CID 4535219

IUPAC4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-3-31-22-14-6-18(7-15-22)24(29)26-19-8-10-20(11-9-19)28-23(16-25-27-28)17-4-12-21(30-2)13-5-17/h4-16H,3H2,1-2H3,(H,26,29)
InChIKeyDMORQIFUUIZSGQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.59
Rot. Bonds7

About 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide

4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (PubChem CID 4535219) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
PubChem CID4535219
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-3-31-22-14-6-18(7-15-22)24(29)26-19-8-10-20(11-9-19)28-23(16-25-27-28)17-4-12-21(30-2)13-5-17/h4-16H,3H2,1-2H3,(H,26,29)
InChIKeyDMORQIFUUIZSGQ-UHFFFAOYSA-N
XLogP4.59
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide (CID 4535219) is 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
The InChIKey is DMORQIFUUIZSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-31-22-14-6-18(7-15-22)24(29)26-19-8-10-20(11-9-19)28-23(16-25-27-28)17-4-12-21(30-2)13-5-17/h4-16H,3H2,1-2H3,(H,26,29).
What are the key properties of 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide?
4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 4535219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).