N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide

C26H28N4O4 — CID 75527015

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C26H28N4O4/c1-3-32-22-13-12-19(17-23(22)33-4-2)14-15-27-24(31)18-30-16-8-11-21(30)26-28-25(29-34-26)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,27,31)
InChIKeyJUMOGPPUYBXWEK-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.36
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (PubChem CID 75527015) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
PubChem CID75527015
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC
InChIInChI=1S/C26H28N4O4/c1-3-32-22-13-12-19(17-23(22)33-4-2)14-15-27-24(31)18-30-16-8-11-21(30)26-28-25(29-34-26)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,27,31)
InChIKeyJUMOGPPUYBXWEK-UHFFFAOYSA-N
XLogP4.36
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (CID 75527015) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is CCOc1ccc(CCNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The InChIKey is JUMOGPPUYBXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-32-22-13-12-19(17-23(22)33-4-2)14-15-27-24(31)18-30-16-8-11-21(30)26-28-25(29-34-26)20-9-6-5-7-10-20/h5-13,16-17H,3-4,14-15,18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).