N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H26N4O4 — CID 39638742

About N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 39638742) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 39638742
• Molecular Formula: C19H26N4O4
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.20
• IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCOc1ccc(-c2noc(CCC(=O)NCC(=O)NC(C)(C)C)n2)cc1
• InChI: InChI=1S/C19H26N4O4/c1-5-26-14-8-6-13(7-9-14)18-21-17(27-23-18)11-10-15(24)20-12-16(25)22-19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,24)(H,22,25)
• InChIKey: DJWMLJLRCCWGFV-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 39638742) is N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NCC(=O)NC(C)(C)C)n2)cc1.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is DJWMLJLRCCWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-26-14-8-6-13(7-9-14)18-21-17(27-23-18)11-10-15(24)20-12-16(25)22-19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,24)(H,22,25).

What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 39638742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).