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

C21H23N3O6 — CID 4791855

IUPACN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)c(OC)c1OC
InChIInChI=1S/C21H23N3O6/c1-24(11-15-7-10-17(26-2)20(28-4)19(15)27-3)18(25)12-29-16-8-5-14(6-9-16)21-23-22-13-30-21/h5-10,13H,11-12H2,1-4H3
InChIKeyZGPQBHLLWZIVFK-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.80
Rot. Bonds9

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

N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 4791855) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID4791855
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)c(OC)c1OC
InChIInChI=1S/C21H23N3O6/c1-24(11-15-7-10-17(26-2)20(28-4)19(15)27-3)18(25)12-29-16-8-5-14(6-9-16)21-23-22-13-30-21/h5-10,13H,11-12H2,1-4H3
InChIKeyZGPQBHLLWZIVFK-UHFFFAOYSA-N
XLogP2.80
TPSA96.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888429
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4793715
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368813
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9116003
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 4791855) is N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C)C(=O)COc2ccc(-c3nnco3)cc2)c(OC)c1OC.
What is the InChIKey of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is ZGPQBHLLWZIVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-24(11-15-7-10-17(26-2)20(28-4)19(15)27-3)18(25)12-29-16-8-5-14(6-9-16)21-23-22-13-30-21/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 2.80, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4791855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).