N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide

C23H30ClN3O3 — CID 55359272

IUPACN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1
InChIInChI=1S/C23H30ClN3O3/c1-3-15-29-19-6-8-20(9-7-19)30-17-23(28)25-21-16-18(24)5-10-22(21)27-13-11-26(4-2)12-14-27/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,25,28)
InChIKeyVXYVMHNFXOHHMY-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.29
Rot. Bonds9

About N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide (PubChem CID 55359272) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
PubChem CID55359272
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1
InChIInChI=1S/C23H30ClN3O3/c1-3-15-29-19-6-8-20(9-7-19)30-17-23(28)25-21-16-18(24)5-10-22(21)27-13-11-26(4-2)12-14-27/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,25,28)
InChIKeyVXYVMHNFXOHHMY-UHFFFAOYSA-N
XLogP4.29
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17092281
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide
CID 17092273
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
CID 4975408
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18084207

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide (CID 55359272) is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide?
The InChIKey is VXYVMHNFXOHHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-3-15-29-19-6-8-20(9-7-19)30-17-23(28)25-21-16-18(24)5-10-22(21)27-13-11-26(4-2)12-14-27/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,25,28).
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide?
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide has a molecular weight of 431.96 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 55359272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).