2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

C20H33N3O2 — CID 60537932

IUPAC2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)(C)CCN1CCN(CC(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)9-11-22-12-14-23(15-13-22)17-19(24)21-10-16-25-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,21,24)
InChIKeyJTKQMZBNUNFBMQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide

2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 60537932) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID60537932
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)(C)CCN1CCN(CC(=O)NCCOc2ccccc2)CC1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)9-11-22-12-14-23(15-13-22)17-19(24)21-10-16-25-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,21,24)
InChIKeyJTKQMZBNUNFBMQ-UHFFFAOYSA-N
XLogP2.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18150374
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34907773
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60512408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide (CID 60537932) is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is CC(C)(C)CCN1CCN(CC(=O)NCCOc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is JTKQMZBNUNFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,3)9-11-22-12-14-23(15-13-22)17-19(24)21-10-16-25-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide?
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 60537932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).