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

C17H24N4O2 — CID 72848361

IUPAC2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C(c1cccc(C)c1)N(C)C
InChIInChI=1S/C17H24N4O2/c1-6-21(11-15-18-13(3)23-19-15)17(22)16(20(4)5)14-9-7-8-12(2)10-14/h7-10,16H,6,11H2,1-5H3
InChIKeySCQCLWAOVZXBPR-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.34
Rot. Bonds6

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

2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 72848361) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID72848361
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C(c1cccc(C)c1)N(C)C
InChIInChI=1S/C17H24N4O2/c1-6-21(11-15-18-13(3)23-19-15)17(22)16(20(4)5)14-9-7-8-12(2)10-14/h7-10,16H,6,11H2,1-5H3
InChIKeySCQCLWAOVZXBPR-UHFFFAOYSA-N
XLogP2.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide (CID 72848361) is 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is CCN(Cc1noc(C)n1)C(=O)C(c1cccc(C)c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is SCQCLWAOVZXBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-6-21(11-15-18-13(3)23-19-15)17(22)16(20(4)5)14-9-7-8-12(2)10-14/h7-10,16H,6,11H2,1-5H3.
What are the key properties of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide?
2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 72848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).