N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide

C20H30N2O3 — CID 135031868

IUPACN-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1
InChIInChI=1S/C20H30N2O3/c1-14(23)21-16-10-19(2,3)22(20(4,5)11-16)25-13-15-12-24-18-9-7-6-8-17(15)18/h6-9,15-16H,10-13H2,1-5H3,(H,21,23)
InChIKeyQHIXEPLUTCGDJE-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide

N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide (PubChem CID 135031868) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide
PubChem CID135031868
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1
InChIInChI=1S/C20H30N2O3/c1-14(23)21-16-10-19(2,3)22(20(4,5)11-16)25-13-15-12-24-18-9-7-6-8-17(15)18/h6-9,15-16H,10-13H2,1-5H3,(H,21,23)
InChIKeyQHIXEPLUTCGDJE-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl(4-piperidyl))-2-[5-methyl-2-(methylethyl)phenoxy]acetamide
CID 2971269
N-{3-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-propyl}-acetamide
CID 12071674
Cyclopropanecarboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57384161
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-2,2,2-trifluoro-acetamide
CID 57384928
trans-2-Cyano-N-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-acetamide
CID 57385423
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]ethyl}-cyclohexyl)-2,2-dimethyl-propionamide
CID 57385426
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]ethyl}-cyclohexyl)-3,3-dimethyl-butyramide
CID 57385427
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-(RS)-2-methyl-butyramide
CID 57385673
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]ethyl}-cyclohexyl)-N',N'-dimethyl-succinamide
CID 57385674
trans-N-(4-{2-[4-(2,3-Dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-butyramide
CID 57386198
4-Methyl-pentanoic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57386200
Pentanoic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57386201

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide (CID 135031868) is N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide is CC(=O)NC1CC(C)(C)N(OCC2COc3ccccc32)C(C)(C)C1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide?
The InChIKey is QHIXEPLUTCGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(23)21-16-10-19(2,3)22(20(4,5)11-16)25-13-15-12-24-18-9-7-6-8-17(15)18/h6-9,15-16H,10-13H2,1-5H3,(H,21,23).
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide?
N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide is sourced from PubChem (CID 135031868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).