2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C19H28N4O2 — CID 46567470

IUPAC2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCc1noc(C(C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H28N4O2/c1-7-8-16-20-19(25-22-16)15(5)23(6)11-17(24)21-18-13(3)9-12(2)10-14(18)4/h9-10,15H,7-8,11H2,1-6H3,(H,21,24)
InChIKeyIOMXHAHLXZJJPQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.58
Rot. Bonds7

About 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46567470) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID46567470
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCCc1noc(C(C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H28N4O2/c1-7-8-16-20-19(25-22-16)15(5)23(6)11-17(24)21-18-13(3)9-12(2)10-14(18)4/h9-10,15H,7-8,11H2,1-6H3,(H,21,24)
InChIKeyIOMXHAHLXZJJPQ-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 51167500
2-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410520
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]acetamide
CID 52565512
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
3-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]propanoic acid
CID 119911266
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 8622468
2-[[2-[[(2R)-heptan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635329
2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339043
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119291384

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 46567470) is 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is CCCc1noc(C(C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is IOMXHAHLXZJJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-7-8-16-20-19(25-22-16)15(5)23(6)11-17(24)21-18-13(3)9-12(2)10-14(18)4/h9-10,15H,7-8,11H2,1-6H3,(H,21,24).
What are the key properties of 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).