N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C23H29N3O2 — CID 113161416

IUPACN-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1ccccc1C
InChIInChI=1S/C23H29N3O2/c1-18-7-6-10-22(15-18)24-11-13-25(14-12-24)23(28)17-26(20(3)27)16-21-9-5-4-8-19(21)2/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeySPOPFTBERPVLTJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.00
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113161416) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113161416
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1ccccc1C
InChIInChI=1S/C23H29N3O2/c1-18-7-6-10-22(15-18)24-11-13-25(14-12-24)23(28)17-26(20(3)27)16-21-9-5-4-8-19(21)2/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeySPOPFTBERPVLTJ-UHFFFAOYSA-N
XLogP3.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
N-(2-methylphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113167320
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113161375
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
N-[4-(dimethylamino)phenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113176706
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173166
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
N-(2,6-dimethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113168676
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113163244

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113161416) is N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SPOPFTBERPVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-7-6-10-22(15-18)24-11-13-25(14-12-24)23(28)17-26(20(3)27)16-21-9-5-4-8-19(21)2/h4-10,15H,11-14,16-17H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113161416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).