2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide

C16H24N4O3 — CID 119447721

IUPAC2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C16H24N4O3/c21-15(18-8-11-20-9-6-17-7-10-20)12-19-16(22)13-23-14-4-2-1-3-5-14/h1-5,17H,6-13H2,(H,18,21)(H,19,22)
InChIKeyOHWCWWSDAWFGAA-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.80
Rot. Bonds8

About 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide

2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119447721) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119447721
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCN1CCNCC1
InChIInChI=1S/C16H24N4O3/c21-15(18-8-11-20-9-6-17-7-10-20)12-19-16(22)13-23-14-4-2-1-3-5-14/h1-5,17H,6-13H2,(H,18,21)(H,19,22)
InChIKeyOHWCWWSDAWFGAA-UHFFFAOYSA-N
XLogP-0.80
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38554360
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
2-[4-(aminomethyl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 62634876
N-(2-piperazin-1-ylethyl)-2-(2,4,6-trimethylphenoxy)acetamide;hydrochloride
CID 119447728
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide (CID 119447721) is 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide is O=C(CNC(=O)COc1ccccc1)NCCN1CCNCC1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is OHWCWWSDAWFGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-15(18-8-11-20-9-6-17-7-10-20)12-19-16(22)13-23-14-4-2-1-3-5-14/h1-5,17H,6-13H2,(H,18,21)(H,19,22).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide?
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of -0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119447721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).