2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C16H20N4O2 — CID 82202141

IUPAC2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1nnc(C=O)c1C
InChIInChI=1S/C16H20N4O2/c1-10(2)13-7-5-6-11(3)16(13)17-15(22)8-20-12(4)14(9-21)18-19-20/h5-7,9-10H,8H2,1-4H3,(H,17,22)
InChIKeyLLSBCRSIQHDZCA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 82202141) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID82202141
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)Cn1nnc(C=O)c1C
InChIInChI=1S/C16H20N4O2/c1-10(2)13-7-5-6-11(3)16(13)17-15(22)8-20-12(4)14(9-21)18-19-20/h5-7,9-10H,8H2,1-4H3,(H,17,22)
InChIKeyLLSBCRSIQHDZCA-UHFFFAOYSA-N
XLogP2.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62055047
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31202356
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 50959258
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 82202141) is 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)Cn1nnc(C=O)c1C.
What is the InChIKey of 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is LLSBCRSIQHDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10(2)13-7-5-6-11(3)16(13)17-15(22)8-20-12(4)14(9-21)18-19-20/h5-7,9-10H,8H2,1-4H3,(H,17,22).
What are the key properties of 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-5-methyltriazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 82202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).