2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

C24H33N3O2 — CID 46601953

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C(C)C
InChIInChI=1S/C24H33N3O2/c1-19(2)23-10-9-22(17-20(23)3)29-18-24(28)25-11-12-26-13-15-27(16-14-26)21-7-5-4-6-8-21/h4-10,17,19H,11-16,18H2,1-3H3,(H,25,28)
InChIKeyJGVLMCCVSSEOIG-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.44
Rot. Bonds8

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (PubChem CID 46601953) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
PubChem CID46601953
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C(C)C
InChIInChI=1S/C24H33N3O2/c1-19(2)23-10-9-22(17-20(23)3)29-18-24(28)25-11-12-26-13-15-27(16-14-26)21-7-5-4-6-8-21/h4-10,17,19H,11-16,18H2,1-3H3,(H,25,28)
InChIKeyJGVLMCCVSSEOIG-UHFFFAOYSA-N
XLogP3.44
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
2-(3-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 34999063
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134014558
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide (CID 46601953) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is Cc1cc(OCC(=O)NCCN2CCN(c3ccccc3)CC2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is JGVLMCCVSSEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19(2)23-10-9-22(17-20(23)3)29-18-24(28)25-11-12-26-13-15-27(16-14-26)21-7-5-4-6-8-21/h4-10,17,19H,11-16,18H2,1-3H3,(H,25,28).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 46601953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).