N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C21H23N3O3 — CID 55733377

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2cccc(OCC(=O)NC(C)c3ccc(C)c(C)c3)c2)no1
InChIInChI=1S/C21H23N3O3/c1-13-8-9-17(10-14(13)2)15(3)22-20(25)12-26-19-7-5-6-18(11-19)21-23-16(4)27-24-21/h5-11,15H,12H2,1-4H3,(H,22,25)
InChIKeyKLFUUCVSTSCOAP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.92
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 55733377) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID55733377
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCc1nc(-c2cccc(OCC(=O)NC(C)c3ccc(C)c(C)c3)c2)no1
InChIInChI=1S/C21H23N3O3/c1-13-8-9-17(10-14(13)2)15(3)22-20(25)12-26-19-7-5-6-18(11-19)21-23-16(4)27-24-21/h5-11,15H,12H2,1-4H3,(H,22,25)
InChIKeyKLFUUCVSTSCOAP-UHFFFAOYSA-N
XLogP3.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55733747
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
N-[2-(4-fluorophenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55729286
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
2-(2,6-dimethoxyphenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 46697439
2-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 50755911
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7816643
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 55733377) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is Cc1nc(-c2cccc(OCC(=O)NC(C)c3ccc(C)c(C)c3)c2)no1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is KLFUUCVSTSCOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-8-9-17(10-14(13)2)15(3)22-20(25)12-26-19-7-5-6-18(11-19)21-23-16(4)27-24-21/h5-11,15H,12H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 55733377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).