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

C17H24N4O2 — CID 42946934

IUPACN-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H24N4O2/c1-6-15-19-17(23-20-15)13(4)21(5)10-16(22)18-14-9-7-8-11(2)12(14)3/h7-9,13H,6,10H2,1-5H3,(H,18,22)
InChIKeyOOAXZMSIFNISPM-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.88
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide (PubChem CID 42946934) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
PubChem CID42946934
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
SMILESCCc1noc(C(C)N(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H24N4O2/c1-6-15-19-17(23-20-15)13(4)21(5)10-16(22)18-14-9-7-8-11(2)12(14)3/h7-9,13H,6,10H2,1-5H3,(H,18,22)
InChIKeyOOAXZMSIFNISPM-UHFFFAOYSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide (CID 42946934) is N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide is CCc1noc(C(C)N(C)CC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
The InChIKey is OOAXZMSIFNISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-6-15-19-17(23-20-15)13(4)21(5)10-16(22)18-14-9-7-8-11(2)12(14)3/h7-9,13H,6,10H2,1-5H3,(H,18,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide is sourced from PubChem (CID 42946934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).