N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide

C15H18N4O2 — CID 15943516

IUPACN-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nc(C)nc2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10(20)13-4-6-14(7-5-13)17-15(21)8-9-19-12(3)16-11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,21)
InChIKeyGOEVGSQUVRMIAE-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.13
Rot. Bonds5

About N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide

N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide (PubChem CID 15943516) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
PubChem CID15943516
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCn2nc(C)nc2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10(20)13-4-6-14(7-5-13)17-15(21)8-9-19-12(3)16-11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,21)
InChIKeyGOEVGSQUVRMIAE-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-N'-[1-(3-methylbenzyl)-1H-1,2,4-triazol-3-yl]urea
CID 2207551
N-(4-acetylphenyl)-2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1735845
N-(4-Acetyl-phenyl)-2-(5-cyclopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 3215008
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 16031691
N-(4-acetylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 2984874
N-(4-acetylphenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3215022
N-(4-acetylphenyl)-2-[[4-cyclohexyl-5-[1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4830865
2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(4-propanoylphenyl)acetamide
CID 62705159
2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propanoylphenyl)acetamide
CID 70690527
2-[[5-(anilinomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butanoylphenyl)acetamide
CID 70696768
N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 864669
N-(4-acetylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7664866

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide (CID 15943516) is N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide is CC(=O)c1ccc(NC(=O)CCn2nc(C)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The InChIKey is GOEVGSQUVRMIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(20)13-4-6-14(7-5-13)17-15(21)8-9-19-12(3)16-11(2)18-19/h4-7H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 15943516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).