N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide

C23H31N3O3 — CID 112505249

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccccc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-3-25-13-15-26(16-14-25)22(19-9-11-20(28-2)12-10-19)17-24-23(27)18-29-21-7-5-4-6-8-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27)
InChIKeyCDXRXUNGLNILEE-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide

N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide (PubChem CID 112505249) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
PubChem CID112505249
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
SMILESCCN1CCN(C(CNC(=O)COc2ccccc2)c2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-3-25-13-15-26(16-14-25)22(19-9-11-20(28-2)12-10-19)17-24-23(27)18-29-21-7-5-4-6-8-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27)
InChIKeyCDXRXUNGLNILEE-UHFFFAOYSA-N
XLogP2.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 110302989
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 112505226
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 30509392
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18564941
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide (CID 112505249) is N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide is CCN1CCN(C(CNC(=O)COc2ccccc2)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
The InChIKey is CDXRXUNGLNILEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-25-13-15-26(16-14-25)22(19-9-11-20(28-2)12-10-19)17-24-23(27)18-29-21-7-5-4-6-8-21/h4-12,22H,3,13-18H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide?
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide has a molecular weight of 397.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 112505249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).