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

C16H22N4O3 — CID 118764408

IUPAC2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCN(C)C(=O)Cc2cccc(OCCN)c2)no1
InChIInChI=1S/C16H22N4O3/c1-12-18-15(19-23-12)6-8-20(2)16(21)11-13-4-3-5-14(10-13)22-9-7-17/h3-5,10H,6-9,11,17H2,1-2H3
InChIKeyLNYWVGQMFINEEP-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.96
Rot. Bonds8

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

2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 118764408) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID118764408
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCN(C)C(=O)Cc2cccc(OCCN)c2)no1
InChIInChI=1S/C16H22N4O3/c1-12-18-15(19-23-12)6-8-20(2)16(21)11-13-4-3-5-14(10-13)22-9-7-17/h3-5,10H,6-9,11,17H2,1-2H3
InChIKeyLNYWVGQMFINEEP-UHFFFAOYSA-N
XLogP0.96
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 118764408) is 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nc(CCN(C)C(=O)Cc2cccc(OCCN)c2)no1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is LNYWVGQMFINEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-12-18-15(19-23-12)6-8-20(2)16(21)11-13-4-3-5-14(10-13)22-9-7-17/h3-5,10H,6-9,11,17H2,1-2H3.
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 118764408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).