2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide

C18H28ClN3O2 — CID 112504917

IUPAC2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O2/c1-4-21-9-11-22(12-10-21)18(2,3)14-20-17(23)13-24-16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyUOWYRDFGCPQZSI-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide (PubChem CID 112504917) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
PubChem CID112504917
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClN3O2/c1-4-21-9-11-22(12-10-21)18(2,3)14-20-17(23)13-24-16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
InChIKeyUOWYRDFGCPQZSI-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide
CID 32765247
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
N-(2-methyl-2-piperidin-1-ylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 51164336
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-(3-chlorophenyl)-3-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]urea
CID 112504926
3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 110303341
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide (CID 112504917) is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide is CCN1CCN(C(C)(C)CNC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The InChIKey is UOWYRDFGCPQZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-4-21-9-11-22(12-10-21)18(2,3)14-20-17(23)13-24-16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide has a molecular weight of 353.89 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 112504917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).