N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

C21H23N3O3 — CID 110411477

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCOc1cccc(CCNC(=O)CC(c2ccccc2)c2nnc(C)o2)c1
InChIInChI=1S/C21H23N3O3/c1-15-23-24-21(27-15)19(17-8-4-3-5-9-17)14-20(25)22-12-11-16-7-6-10-18(13-16)26-2/h3-10,13,19H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZOSYCLGJIIFIGQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide

N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (PubChem CID 110411477) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
PubChem CID110411477
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
SMILESCOc1cccc(CCNC(=O)CC(c2ccccc2)c2nnc(C)o2)c1
InChIInChI=1S/C21H23N3O3/c1-15-23-24-21(27-15)19(17-8-4-3-5-9-17)14-20(25)22-12-11-16-7-6-10-18(13-16)26-2/h3-10,13,19H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyZOSYCLGJIIFIGQ-UHFFFAOYSA-N
XLogP3.27
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110416583
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110612719
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide (CID 110411477) is N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is COc1cccc(CCNC(=O)CC(c2ccccc2)c2nnc(C)o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
The InChIKey is ZOSYCLGJIIFIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-23-24-21(27-15)19(17-8-4-3-5-9-17)14-20(25)22-12-11-16-7-6-10-18(13-16)26-2/h3-10,13,19H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 110411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).