2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide

C21H32N2O3 — CID 96542515

IUPAC2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NC1CCN([C@@H]2CCOC2)CC1
InChIInChI=1S/C21H32N2O3/c1-21(2,3)18-6-4-5-7-19(18)26-15-20(24)22-16-8-11-23(12-9-16)17-10-13-25-14-17/h4-7,16-17H,8-15H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWJZKNLASIREDJV-QGZVFWFLSA-N
MW360.50 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide

2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide (PubChem CID 96542515) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
PubChem CID96542515
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NC1CCN([C@@H]2CCOC2)CC1
InChIInChI=1S/C21H32N2O3/c1-21(2,3)18-6-4-5-7-19(18)26-15-20(24)22-16-8-11-23(12-9-16)17-10-13-25-14-17/h4-7,16-17H,8-15H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWJZKNLASIREDJV-QGZVFWFLSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119426969
2-(2-tert-butylphenoxy)-N-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17051386
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
1-[1-(oxolan-3-yl)piperidin-4-yl]-3-phenylurea
CID 71855491
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24620528
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
CID 108552692
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide (CID 96542515) is 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide is CC(C)(C)c1ccccc1OCC(=O)NC1CCN([C@@H]2CCOC2)CC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide?
The InChIKey is WJZKNLASIREDJV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-21(2,3)18-6-4-5-7-19(18)26-15-20(24)22-16-8-11-23(12-9-16)17-10-13-25-14-17/h4-7,16-17H,8-15H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide?
2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 96542515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).