2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide

C24H33N3O2 — CID 110302989

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c1-4-26-12-14-27(15-13-26)23(21-8-6-5-7-9-21)17-25-24(28)18-29-22-11-10-19(2)20(3)16-22/h5-11,16,23H,4,12-15,17-18H2,1-3H3,(H,25,28)
InChIKeyRDVJYAZTDFNMQK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.18
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide (PubChem CID 110302989) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
PubChem CID110302989
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c1-4-26-12-14-27(15-13-26)23(21-8-6-5-7-9-21)17-25-24(28)18-29-22-11-10-19(2)20(3)16-22/h5-11,16,23H,4,12-15,17-18H2,1-3H3,(H,25,28)
InChIKeyRDVJYAZTDFNMQK-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 52984366
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
2-(3,4-dimethylphenoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 35043731
2-(3,4-dimethylphenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 51628683
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 112504470
N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 110306577

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide (CID 110302989) is 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide is CCN1CCN(C(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2)CC1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide?
The InChIKey is RDVJYAZTDFNMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-4-26-12-14-27(15-13-26)23(21-8-6-5-7-9-21)17-25-24(28)18-29-22-11-10-19(2)20(3)16-22/h5-11,16,23H,4,12-15,17-18H2,1-3H3,(H,25,28).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 110302989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).