2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide

C21H23N3O4 — CID 110322200

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(Cc2ccccc2)c2nnc(C)o2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-14-23-24-21(28-14)17(11-15-7-5-4-6-8-15)22-20(25)13-16-9-10-18(26-2)19(12-16)27-3/h4-10,12,17H,11,13H2,1-3H3,(H,22,25)
InChIKeyFGWXUMHQBMEKGD-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.04
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide (PubChem CID 110322200) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
PubChem CID110322200
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
SMILESCOc1ccc(CC(=O)NC(Cc2ccccc2)c2nnc(C)o2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-14-23-24-21(28-14)17(11-15-7-5-4-6-8-15)22-20(25)13-16-9-10-18(26-2)19(12-16)27-3/h4-10,12,17H,11,13H2,1-3H3,(H,22,25)
InChIKeyFGWXUMHQBMEKGD-UHFFFAOYSA-N
XLogP3.04
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
CID 110322181
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322168
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1,3-benzodioxole-5-carboxamide
CID 110322203
N-[(1R)-1-(2-ethyl-4,5-dimethoxyphenyl)-2-phenylethyl]-2-phenylacetamide
CID 97037046
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
3,4-dimethoxy-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 110288314
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885736
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide (CID 110322200) is 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide is COc1ccc(CC(=O)NC(Cc2ccccc2)c2nnc(C)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide?
The InChIKey is FGWXUMHQBMEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-23-24-21(28-14)17(11-15-7-5-4-6-8-15)22-20(25)13-16-9-10-18(26-2)19(12-16)27-3/h4-10,12,17H,11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 110322200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).