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

C21H23N3O5 — CID 48730152

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C21H23N3O5/c1-4-23(13-15-10-11-17(27-2)18(12-15)28-3)19(25)14-24-20(22-29-21(24)26)16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3
InChIKeyAZEXLPFFLQZHQB-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.57
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (PubChem CID 48730152) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
PubChem CID48730152
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(-c2ccccc2)noc1=O
InChIInChI=1S/C21H23N3O5/c1-4-23(13-15-10-11-17(27-2)18(12-15)28-3)19(25)14-24-20(22-29-21(24)26)16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3
InChIKeyAZEXLPFFLQZHQB-UHFFFAOYSA-N
XLogP2.57
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[3-(2-methylphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 52848492
4-[3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86893144
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596284
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51201343
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24676962
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 78815223
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8597756
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018288
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 49153048

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide (CID 48730152) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(-c2ccccc2)noc1=O.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
The InChIKey is AZEXLPFFLQZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-23(13-15-10-11-17(27-2)18(12-15)28-3)19(25)14-24-20(22-29-21(24)26)16-8-6-5-7-9-16/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide is sourced from PubChem (CID 48730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).