N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

C19H20N4O2 — CID 99817191

IUPACN-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-4-25-16-6-7-17(13(2)10-16)22-19(24)15-5-8-18(14(3)9-15)23-12-20-11-21-23/h5-12H,4H2,1-3H3,(H,22,24)
InChIKeyUVPHUYIAFJNXPJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.54
Rot. Bonds5

About N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide

N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 99817191) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID99817191
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c(C)c1
InChIInChI=1S/C19H20N4O2/c1-4-25-16-6-7-17(13(2)10-16)22-19(24)15-5-8-18(14(3)9-15)23-12-20-11-21-23/h5-12H,4H2,1-3H3,(H,22,24)
InChIKeyUVPHUYIAFJNXPJ-UHFFFAOYSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
3-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]butanoic acid
CID 119221375
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
CID 1234586
3,4-diethoxy-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 52660649
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 23733721
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166
1-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119176697
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 111481565

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide (CID 99817191) is N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is CCOc1ccc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UVPHUYIAFJNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-25-16-6-7-17(13(2)10-16)22-19(24)15-5-8-18(14(3)9-15)23-12-20-11-21-23/h5-12H,4H2,1-3H3,(H,22,24).
What are the key properties of N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide?
N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 99817191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).