N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide

C25H27N3O3 — CID 43039942

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)19-30-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyCWCVACNDNKBSIJ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 43039942) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID43039942
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCN1CCN(c2ccccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H27N3O3/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)19-30-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,26,29)
InChIKeyCWCVACNDNKBSIJ-UHFFFAOYSA-N
XLogP4.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-(4-bromophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 1263245
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
2-(4-methylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1017654
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide (CID 43039942) is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide is CN1CCN(c2ccccc2NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is CWCVACNDNKBSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-27-15-17-28(18-16-27)24-10-6-5-9-23(24)26-25(29)19-30-20-11-13-22(14-12-20)31-21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,26,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 417.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 43039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).