N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

C21H23N5O3 — CID 55873892

IUPACN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C21H23N5O3/c1-14-7-9-18(10-8-14)26-15(2)20(24-25-26)21(28)22-12-16-5-4-6-17(11-16)23-19(27)13-29-3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,23,27)
InChIKeySEUICIWYDSPYDY-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.40
Rot. Bonds7

About N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide

N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 55873892) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID55873892
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C21H23N5O3/c1-14-7-9-18(10-8-14)26-15(2)20(24-25-26)21(28)22-12-16-5-4-6-17(11-16)23-19(27)13-29-3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,23,27)
InChIKeySEUICIWYDSPYDY-UHFFFAOYSA-N
XLogP2.40
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855
5-methyl-1-(3-nitrophenyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]triazole-4-carboxamide
CID 55953271
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
3-(4-fluorophenyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-2-methylsulfanylimidazole-4-carboxamide
CID 37356551
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
1-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858211
1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 46858281
1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 171132681
1-(3-chloro-4-methylphenyl)-N-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858118
N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
N-benzyl-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 16654263

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide (CID 55873892) is N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is COCC(=O)Nc1cccc(CNC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1.
What is the InChIKey of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is SEUICIWYDSPYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-7-9-18(10-8-14)26-15(2)20(24-25-26)21(28)22-12-16-5-4-6-17(11-16)23-19(27)13-29-3/h4-11H,12-13H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide?
N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55873892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).