2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C23H31N3O3 — CID 112504392

IUPAC2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C23H31N3O3/c1-18-8-10-19(11-9-18)20(26-14-12-25(2)13-15-26)16-24-23(27)17-29-22-7-5-4-6-21(22)28-3/h4-11,20H,12-17H2,1-3H3,(H,24,27)
InChIKeyMVKQKCPAGKTAPN-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.49
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 112504392) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID112504392
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1
InChIInChI=1S/C23H31N3O3/c1-18-8-10-19(11-9-18)20(26-14-12-25(2)13-15-26)16-24-23(27)17-29-22-7-5-4-6-21(22)28-3/h4-11,20H,12-17H2,1-3H3,(H,24,27)
InChIKeyMVKQKCPAGKTAPN-UHFFFAOYSA-N
XLogP2.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 16801993
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
2-(2-methoxy-4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931501
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 45155088
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
CID 52985111
3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 7384661
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17014091

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 112504392) is 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is COc1ccccc1OCC(=O)NCC(c1ccc(C)cc1)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is MVKQKCPAGKTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18-8-10-19(11-9-18)20(26-14-12-25(2)13-15-26)16-24-23(27)17-29-22-7-5-4-6-21(22)28-3/h4-11,20H,12-17H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 112504392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).