N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide

C22H29N3O — CID 55664564

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-4-24-11-13-25(14-12-24)16-19-6-8-20(9-7-19)23-22(26)21-10-5-17(2)15-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyTZLHWEHDSJUKID-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.69
Rot. Bonds5

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide (PubChem CID 55664564) 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]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
PubChem CID55664564
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-4-24-11-13-25(14-12-24)16-19-6-8-20(9-7-19)23-22(26)21-10-5-17(2)15-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)
InChIKeyTZLHWEHDSJUKID-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55843020
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
4-(3,5-dimethylpyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 55664687
N-[4-(azepan-1-yl)phenyl]-2,4-dimethylbenzamide
CID 60593055
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900621
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide (CID 55664564) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide is CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide?
The InChIKey is TZLHWEHDSJUKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-24-11-13-25(14-12-24)16-19-6-8-20(9-7-19)23-22(26)21-10-5-17(2)15-18(21)3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide has a molecular weight of 351.49 g/mol, XLogP of 3.69, 5 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]-2,4-dimethylbenzamide is sourced from PubChem (CID 55664564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).