2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

C21H27N3O2 — CID 108743731

IUPAC2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-20(14-17)26-16-21(25)22-19-8-6-18(7-9-19)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyCPZQBHWNBXTNTA-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.76
Rot. Bonds6

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

2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 108743731) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID108743731
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-17-4-3-5-20(14-17)26-16-21(25)22-19-8-6-18(7-9-19)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)
InChIKeyCPZQBHWNBXTNTA-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596
2-(3-acetylphenoxy)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55647563
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78803811
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108730961
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (CID 108743731) is 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is CPZQBHWNBXTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17-4-3-5-20(14-17)26-16-21(25)22-19-8-6-18(7-9-19)15-24-12-10-23(2)11-13-24/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 108743731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).