ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol

C28H44N2O4 — CID 142091936

IUPACethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol
SMILESCC(O)c1ccccc1.CCO.Cc1cc(C)c(C)c(OCC(=O)N(C)C2CCNCC2)c1C
InChIInChI=1S/C18H28N2O2.C8H10O.C2H6O/c1-12-10-13(2)15(4)18(14(12)3)22-11-17(21)20(5)16-6-8-19-9-7-16;1-7(9)8-5-3-2-4-6-8;1-2-3/h10,16,19H,6-9,11H2,1-5H3;2-7,9H,1H3;3H,2H2,1H3
InChIKeyHKSKBOZRVNYCLR-UHFFFAOYSA-N
MW472.67 g/mol
LogP4.25
Rot. Bonds5

About ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol

ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol (PubChem CID 142091936) has the molecular formula C28H44N2O4 and a molecular weight of 472.67 g/mol. Its IUPAC name is ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol.

Molecular Properties

Compound Nameethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol
PubChem CID142091936
Molecular FormulaC28H44N2O4
Molecular Weight472.67 g/mol
Exact Mass472.33
IUPAC Nameethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol
SMILESCC(O)c1ccccc1.CCO.Cc1cc(C)c(C)c(OCC(=O)N(C)C2CCNCC2)c1C
InChIInChI=1S/C18H28N2O2.C8H10O.C2H6O/c1-12-10-13(2)15(4)18(14(12)3)22-11-17(21)20(5)16-6-8-19-9-7-16;1-7(9)8-5-3-2-4-6-8;1-2-3/h10,16,19H,6-9,11H2,1-5H3;2-7,9H,1H3;3H,2H2,1H3
InChIKeyHKSKBOZRVNYCLR-UHFFFAOYSA-N
XLogP4.25
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.67
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444398
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
2-(4-amino-2,3,5-trimethylphenoxy)-N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-methylacetamide
CID 87636291
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
3-(2,3-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119444434
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205

Frequently Asked Questions

What is the IUPAC name of ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol?
The IUPAC name of ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol (CID 142091936) is ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol.
What is the SMILES notation for ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol?
The canonical SMILES for ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol is CC(O)c1ccccc1.CCO.Cc1cc(C)c(C)c(OCC(=O)N(C)C2CCNCC2)c1C.
What is the InChIKey of ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol?
The InChIKey is HKSKBOZRVNYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C8H10O.C2H6O/c1-12-10-13(2)15(4)18(14(12)3)22-11-17(21)20(5)16-6-8-19-9-7-16;1-7(9)8-5-3-2-4-6-8;1-2-3/h10,16,19H,6-9,11H2,1-5H3;2-7,9H,1H3;3H,2H2,1H3.
What are the key properties of ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol?
ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol has a molecular weight of 472.67 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methyl-N-piperidin-4-yl-2-(2,3,5,6-tetramethylphenoxy)acetamide;1-phenylethanol is sourced from PubChem (CID 142091936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).