N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide

C23H31N3O2 — CID 112504519

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-25-13-15-26(16-14-25)22(20-7-5-4-6-8-20)17-24-23(27)18-28-21-11-9-19(2)10-12-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27)
InChIKeyHXOBVIUPLSDMPJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.87
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 112504519) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
PubChem CID112504519
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccc(C)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-25-13-15-26(16-14-25)22(20-7-5-4-6-8-20)17-24-23(27)18-28-21-11-9-19(2)10-12-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27)
InChIKeyHXOBVIUPLSDMPJ-UHFFFAOYSA-N
XLogP2.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide (CID 112504519) is N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide is CCN1CCN(C(CNC(=O)COc2ccc(C)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is HXOBVIUPLSDMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-25-13-15-26(16-14-25)22(20-7-5-4-6-8-20)17-24-23(27)18-28-21-11-9-19(2)10-12-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 112504519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).