N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide

C20H22N4O5 — CID 20888892

IUPACN-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide
SMILESCOc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H22N4O5/c1-24(12-18(25)21-14-7-10-16(27-3)17(11-14)28-4)20-22-19(23-29-20)13-5-8-15(26-2)9-6-13/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyZPIIILQVXFCXDO-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.84
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide

N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide (PubChem CID 20888892) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide
PubChem CID20888892
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide
SMILESCOc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H22N4O5/c1-24(12-18(25)21-14-7-10-16(27-3)17(11-14)28-4)20-22-19(23-29-20)13-5-8-15(26-2)9-6-13/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyZPIIILQVXFCXDO-UHFFFAOYSA-N
XLogP2.84
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide (CID 20888892) is N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide is COc1ccc(-c2noc(N(C)CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide?
The InChIKey is ZPIIILQVXFCXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-24(12-18(25)21-14-7-10-16(27-3)17(11-14)28-4)20-22-19(23-29-20)13-5-8-15(26-2)9-6-13/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide has a molecular weight of 398.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]acetamide is sourced from PubChem (CID 20888892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).