2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C22H29N3O2 — CID 39726745

IUPAC2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C22H29N3O2/c1-16-5-6-17(2)21(13-16)27-15-22(26)23-19-7-8-20(18(3)14-19)25-11-9-24(4)10-12-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyFMHJVAPDJRMULW-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.38
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 39726745) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID39726745
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C22H29N3O2/c1-16-5-6-17(2)21(13-16)27-15-22(26)23-19-7-8-20(18(3)14-19)25-11-9-24(4)10-12-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)
InChIKeyFMHJVAPDJRMULW-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24535265
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273423
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
2-(4-bromophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 38172833
N-[4-(azepane-1-carbonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 17199024
N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188255
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 39726745) is 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is FMHJVAPDJRMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-5-6-17(2)21(13-16)27-15-22(26)23-19-7-8-20(18(3)14-19)25-11-9-24(4)10-12-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 39726745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).