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

C17H24N4O2 — CID 72893759

IUPAC2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C(c1ccccc1C)N(C)C
InChIInChI=1S/C17H24N4O2/c1-6-21(11-15-18-13(3)23-19-15)17(22)16(20(4)5)14-10-8-7-9-12(14)2/h7-10,16H,6,11H2,1-5H3
InChIKeyHKHIJQGCFQQKCX-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-(2-methylphenyl)acetamide

2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 72893759) 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-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID72893759
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-(2-methylphenyl)acetamide
SMILESCCN(Cc1noc(C)n1)C(=O)C(c1ccccc1C)N(C)C
InChIInChI=1S/C17H24N4O2/c1-6-21(11-15-18-13(3)23-19-15)17(22)16(20(4)5)14-10-8-7-9-12(14)2/h7-10,16H,6,11H2,1-5H3
InChIKeyHKHIJQGCFQQKCX-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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Related Compounds

(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
N-ethyl-3,4,7-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 70781921
3-(4-acetylphenyl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 72852507
(1R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 107911793
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
3-[N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]anilino]propanoic acid
CID 60838393
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
3-(2H-benzotriazol-4-yl)-1-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 118776989
N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 72881383
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(2-methylphenyl)ethanamine;hydrochloride
CID 120750955

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide (CID 72893759) is 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide is CCN(Cc1noc(C)n1)C(=O)C(c1ccccc1C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is HKHIJQGCFQQKCX-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)14-10-8-7-9-12(14)2/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-(2-methylphenyl)acetamide?
2-(dimethylamino)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-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-(2-methylphenyl)acetamide is sourced from PubChem (CID 72893759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).