N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide

C22H29N3O — CID 55664598

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-24-12-14-25(15-13-24)17-19-8-10-21(11-9-19)23-22(26)16-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyYYRHSXADJLNNQM-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 55664598) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
PubChem CID55664598
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)Cc3ccccc3C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-3-24-12-14-25(15-13-24)17-19-8-10-21(11-9-19)23-22(26)16-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,23,26)
InChIKeyYYRHSXADJLNNQM-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 16625383
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 60510437
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 51942158
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide (CID 55664598) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide is CCN1CCN(Cc2ccc(NC(=O)Cc3ccccc3C)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is YYRHSXADJLNNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24-12-14-25(15-13-24)17-19-8-10-21(11-9-19)23-22(26)16-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,23,26).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 55664598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).