N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide

C22H25N3O4 — CID 17014592

IUPACN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
SMILESCCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(CC)cc2)cc1C
InChIInChI=1S/C22H25N3O4/c1-5-16-7-10-18(11-8-16)28-15(4)22(26)23-21-20(24-29-25-21)17-9-12-19(27-6-2)14(3)13-17/h7-13,15H,5-6H2,1-4H3,(H,23,25,26)
InChIKeyNUWQIBGAEQILTM-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.41
Rot. Bonds8

About N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide

N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide (PubChem CID 17014592) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
PubChem CID17014592
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide
SMILESCCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(CC)cc2)cc1C
InChIInChI=1S/C22H25N3O4/c1-5-16-7-10-18(11-8-16)28-15(4)22(26)23-21-20(24-29-25-21)17-9-12-19(27-6-2)14(3)13-17/h7-13,15H,5-6H2,1-4H3,(H,23,25,26)
InChIKeyNUWQIBGAEQILTM-UHFFFAOYSA-N
XLogP4.41
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-fluorophenoxy)propanamide
CID 35129417
2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 17014594
2-(2,3-dimethylphenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43843037
(2S)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-methoxyphenoxy)propanamide
CID 35129395
2-(2-chlorophenoxy)-N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 43842833
(2S)-2-(4-fluorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 35126571
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-ethylbutanamide
CID 17014595
(2R)-2-(3,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40871934
(2S)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 34953133
(2S)-2-(2-chlorophenoxy)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
CID 40965376
(2S)-N-[4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-(2-fluorophenoxy)propanamide
CID 40965372
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-4-methylbenzamide
CID 17014054

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide?
The IUPAC name of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide (CID 17014592) is N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide is CCOc1ccc(-c2nonc2NC(=O)C(C)Oc2ccc(CC)cc2)cc1C.
What is the InChIKey of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide?
The InChIKey is NUWQIBGAEQILTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-5-16-7-10-18(11-8-16)28-15(4)22(26)23-21-20(24-29-25-21)17-9-12-19(27-6-2)14(3)13-17/h7-13,15H,5-6H2,1-4H3,(H,23,25,26).
What are the key properties of N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide?
N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide has a molecular weight of 395.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxy-3-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 17014592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).