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

C21H24N4O2 — CID 38511433

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
SMILESCc1ccccc1-c1noc(CN(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H24N4O2/c1-14-9-7-11-18(16(14)3)22-19(26)12-25(4)13-20-23-21(24-27-20)17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyMTTUWVLFACSALG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.73
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide (PubChem CID 38511433) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
PubChem CID38511433
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide
SMILESCc1ccccc1-c1noc(CN(C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H24N4O2/c1-14-9-7-11-18(16(14)3)22-19(26)12-25(4)13-20-23-21(24-27-20)17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyMTTUWVLFACSALG-UHFFFAOYSA-N
XLogP3.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34136028
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
N-(2-ethylphenyl)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758721
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566199
1-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 100749125
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
2-methoxy-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 99639452
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 24534482
methyl 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetate
CID 60661749

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide (CID 38511433) is N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide is Cc1ccccc1-c1noc(CN(C)CC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide?
The InChIKey is MTTUWVLFACSALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-9-7-11-18(16(14)3)22-19(26)12-25(4)13-20-23-21(24-27-20)17-10-6-5-8-15(17)2/h5-11H,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.73, 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-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetamide is sourced from PubChem (CID 38511433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).