2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C24H28N4O4 — CID 60585353

IUPAC2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2)no1
InChIInChI=1S/C24H28N4O4/c1-4-5-6-22-26-24(27-32-22)18-9-13-20(14-10-18)31-16-23(30)28(3)15-21(29)25-19-11-7-17(2)8-12-19/h7-14H,4-6,15-16H2,1-3H3,(H,25,29)
InChIKeyFDESINPNHALDIA-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.86
Rot. Bonds10

About 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 60585353) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID60585353
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2)no1
InChIInChI=1S/C24H28N4O4/c1-4-5-6-22-26-24(27-32-22)18-9-13-20(14-10-18)31-16-23(30)28(3)15-21(29)25-19-11-7-17(2)8-12-19/h7-14H,4-6,15-16H2,1-3H3,(H,25,29)
InChIKeyFDESINPNHALDIA-UHFFFAOYSA-N
XLogP3.86
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60585503
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 60585376
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-butyl-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330704
1-(azepan-1-yl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 60585567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 60585353) is 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is CCCCc1nc(-c2ccc(OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)cc2)no1.
What is the InChIKey of 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is FDESINPNHALDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-4-5-6-22-26-24(27-32-22)18-9-13-20(14-10-18)31-16-23(30)28(3)15-21(29)25-19-11-7-17(2)8-12-19/h7-14H,4-6,15-16H2,1-3H3,(H,25,29).
What are the key properties of 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60585353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).