N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide

C20H20N4O3 — CID 6493779

IUPACN-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(C)=O)c2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-18-11-6-5-10-17(18)24-13(2)19(22-23-24)20(26)21-16-9-7-8-15(12-16)14(3)25/h5-12H,4H2,1-3H3,(H,21,26)
InChIKeyCZIFWAVHXCZGDH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.43
Rot. Bonds6

About N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide

N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 6493779) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID6493779
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(C)=O)c2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-18-11-6-5-10-17(18)24-13(2)19(22-23-24)20(26)21-16-9-7-8-15(12-16)14(3)25/h5-12H,4H2,1-3H3,(H,21,26)
InChIKeyCZIFWAVHXCZGDH-UHFFFAOYSA-N
XLogP3.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide 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

methyl 3-{[(1P)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl]amino}-4-{[(3S)-hexan-3-yl]oxy}benzoate
CID 169248042
(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 169248098
(1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 169248327
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyltriazole-4-carboxamide
CID 11547151
1-benzyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11576528
1-[(4-methoxyphenyl)methyl]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11663604
1-benzyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11720119
N-(2,6-dimethylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649224
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 16649239
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122041
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 24982004
(1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 171352643

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide (CID 6493779) is N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is CCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(C)=O)c2)c1C.
What is the InChIKey of N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is CZIFWAVHXCZGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-27-18-11-6-5-10-17(18)24-13(2)19(22-23-24)20(26)21-16-9-7-8-15(12-16)14(3)25/h5-12H,4H2,1-3H3,(H,21,26).
What are the key properties of N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 6493779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).