2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide

C24H33N3O3 — CID 31568257

IUPAC2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)COc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-19-6-4-7-20(2)24(19)30-18-23(28)25-12-5-13-26-14-16-27(17-15-26)21-8-10-22(29-3)11-9-21/h4,6-11H,5,12-18H2,1-3H3,(H,25,28)
InChIKeyBICOGDKBDWXFKT-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.02
Rot. Bonds9

About 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide

2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 31568257) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID31568257
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)COc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-19-6-4-7-20(2)24(19)30-18-23(28)25-12-5-13-26-14-16-27(17-15-26)21-8-10-22(29-3)11-9-21/h4,6-11H,5,12-18H2,1-3H3,(H,25,28)
InChIKeyBICOGDKBDWXFKT-UHFFFAOYSA-N
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
2-(2,6-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 18892490
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
2-(6-chloro-3-pyridinyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 86933478
2-(2-methoxyphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide
CID 42175689

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide (CID 31568257) is 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide is COc1ccc(N2CCN(CCCNC(=O)COc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is BICOGDKBDWXFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-19-6-4-7-20(2)24(19)30-18-23(28)25-12-5-13-26-14-16-27(17-15-26)21-8-10-22(29-3)11-9-21/h4,6-11H,5,12-18H2,1-3H3,(H,25,28).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 31568257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).