2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

C22H29N3O2 — CID 46410504

IUPAC2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cccc(N2CCN(CCNC(=O)COc3ccccc3C)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-18-6-5-8-20(16-18)25-14-12-24(13-15-25)11-10-23-22(26)17-27-21-9-4-3-7-19(21)2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyMDFNDDDQCUKBLO-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 46410504) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID46410504
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1cccc(N2CCN(CCNC(=O)COc3ccccc3C)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-18-6-5-8-20(16-18)25-14-12-24(13-15-25)11-10-23-22(26)17-27-21-9-4-3-7-19(21)2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyMDFNDDDQCUKBLO-UHFFFAOYSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 30885469
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
CID 55624420
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 34250927
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46601953
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 75375536
2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
CID 46462316
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-(4-bromophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxobutanamide
CID 46462338

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (CID 46410504) is 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is Cc1cccc(N2CCN(CCNC(=O)COc3ccccc3C)CC2)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is MDFNDDDQCUKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18-6-5-8-20(16-18)25-14-12-24(13-15-25)11-10-23-22(26)17-27-21-9-4-3-7-19(21)2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 46410504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).