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

C24H29N3O3 — CID 52576893

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H29N3O3/c1-16-13-19(24(3,4)5)14-17(2)20(16)11-12-25-21(28)15-29-23-27-26-22(30-23)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15H2,1-5H3,(H,25,28)
InChIKeyVLMBKIHINPTLCO-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.39
Rot. Bonds7

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

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (PubChem CID 52576893) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
PubChem CID52576893
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H29N3O3/c1-16-13-19(24(3,4)5)14-17(2)20(16)11-12-25-21(28)15-29-23-27-26-22(30-23)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15H2,1-5H3,(H,25,28)
InChIKeyVLMBKIHINPTLCO-UHFFFAOYSA-N
XLogP4.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetamidophenoxy)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide
CID 9017993
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602671
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404917
N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602705
1-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone
CID 112819046
N-(3-methylbutyl)-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 20943758
N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 9162978
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
N-(2-methoxyphenyl)-4-[[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetyl]amino]benzamide
CID 55601761
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 17359061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (CID 52576893) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)COc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The InChIKey is VLMBKIHINPTLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-13-19(24(3,4)5)14-17(2)20(16)11-12-25-21(28)15-29-23-27-26-22(30-23)18-9-7-6-8-10-18/h6-10,13-14H,11-12,15H2,1-5H3,(H,25,28).
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is sourced from PubChem (CID 52576893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).