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

C20H21N3O3 — CID 8888415

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCCc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-15-4-6-16(7-5-15)12-23(2)19(24)13-25-18-10-8-17(9-11-18)20-22-21-14-26-20/h4-11,14H,3,12-13H2,1-2H3
InChIKeyDYWONKNFIYTNEZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds7

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

N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 8888415) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID8888415
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCCc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-15-4-6-16(7-5-15)12-23(2)19(24)13-25-18-10-8-17(9-11-18)20-22-21-14-26-20/h4-11,14H,3,12-13H2,1-2H3
InChIKeyDYWONKNFIYTNEZ-UHFFFAOYSA-N
XLogP3.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4791855
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-[(4-chlorophenyl)methyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-methylacetamide
CID 50746918
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
2-(4-ethylphenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929165
ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
CID 7555934
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9116003
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 8888415) is N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is CCc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is DYWONKNFIYTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-15-4-6-16(7-5-15)12-23(2)19(24)13-25-18-10-8-17(9-11-18)20-22-21-14-26-20/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 8888415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).