2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide

C33H41N3O5 — CID 143559294

IUPAC2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Cc1ccccc1CCC(=O)N1CCNCC1.Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C24H31N3O2.C9H10O3/c1-19(28)26-13-12-21-7-3-5-9-23(21)18-22-8-4-2-6-20(22)10-11-24(29)27-16-14-25-15-17-27;1-7-2-4-8(5-3-7)12-6-9(10)11/h2-9,25H,10-18H2,1H3,(H,26,28);2-5H,6H2,1H3,(H,10,11)
InChIKeyOQBCUWPHIQCKRY-UHFFFAOYSA-N
MW559.71 g/mol
LogP3.78
Rot. Bonds11

About 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide

2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide (PubChem CID 143559294) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol. Its IUPAC name is 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide
PubChem CID143559294
Molecular FormulaC33H41N3O5
Molecular Weight559.71 g/mol
Exact Mass559.30
IUPAC Name2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Cc1ccccc1CCC(=O)N1CCNCC1.Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C24H31N3O2.C9H10O3/c1-19(28)26-13-12-21-7-3-5-9-23(21)18-22-8-4-2-6-20(22)10-11-24(29)27-16-14-25-15-17-27;1-7-2-4-8(5-3-7)12-6-9(10)11/h2-9,25H,10-18H2,1H3,(H,26,28);2-5H,6H2,1H3,(H,10,11)
InChIKeyOQBCUWPHIQCKRY-UHFFFAOYSA-N
XLogP3.78
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide with MolForge

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Related Compounds

N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
3-[2-(4-chlorophenoxy)phenyl]-1-piperazin-1-ylpropan-1-one;toluene
CID 143559342
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
N-[2-[2-[[2-[3-oxo-3-[2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]propyl]phenyl]methyl]phenyl]ethyl]acetamide
CID 68669304
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780
1-(7-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246411
2-phenoxyacetic acid;piperazine
CID 54610102
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide (CID 143559294) is 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccccc1Cc1ccccc1CCC(=O)N1CCNCC1.Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide?
The InChIKey is OQBCUWPHIQCKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.C9H10O3/c1-19(28)26-13-12-21-7-3-5-9-23(21)18-22-8-4-2-6-20(22)10-11-24(29)27-16-14-25-15-17-27;1-7-2-4-8(5-3-7)12-6-9(10)11/h2-9,25H,10-18H2,1H3,(H,26,28);2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide?
2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide has a molecular weight of 559.71 g/mol, XLogP of 3.78, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)acetic acid;N-[2-[2-[[2-(3-oxo-3-piperazin-1-ylpropyl)phenyl]methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 143559294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).