2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C19H28N4O2 — CID 42946051

IUPAC2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H28N4O2/c1-12-9-8-10-13(2)16(12)20-15(24)11-23(7)14(3)17-21-18(22-25-17)19(4,5)6/h8-10,14H,11H2,1-7H3,(H,20,24)
InChIKeyGYXGZNFPXCNLCA-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.62
Rot. Bonds5

About 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 42946051) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID42946051
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C19H28N4O2/c1-12-9-8-10-13(2)16(12)20-15(24)11-23(7)14(3)17-21-18(22-25-17)19(4,5)6/h8-10,14H,11H2,1-7H3,(H,20,24)
InChIKeyGYXGZNFPXCNLCA-UHFFFAOYSA-N
XLogP3.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 42946051) is 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is GYXGZNFPXCNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-9-8-10-13(2)16(12)20-15(24)11-23(7)14(3)17-21-18(22-25-17)19(4,5)6/h8-10,14H,11H2,1-7H3,(H,20,24).
What are the key properties of 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 42946051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).