2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide

C24H32N2O2 — CID 35043931

IUPAC2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-18-10-12-21(13-11-18)22(26-14-5-4-6-15-26)16-25-23(27)17-28-24-19(2)8-7-9-20(24)3/h7-13,22H,4-6,14-17H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyLYHFHLOTJJKSQK-JOCHJYFZSA-N
MW380.53 g/mol
LogP4.33
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide

2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 35043931) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID35043931
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-18-10-12-21(13-11-18)22(26-14-5-4-6-15-26)16-25-23(27)17-28-24-19(2)8-7-9-20(24)3/h7-13,22H,4-6,14-17H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyLYHFHLOTJJKSQK-JOCHJYFZSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide with MolForge

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 35129885
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17014091
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide (CID 35043931) is 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide is Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)N2CCCCC2)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is LYHFHLOTJJKSQK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-10-12-21(13-11-18)22(26-14-5-4-6-15-26)16-25-23(27)17-28-24-19(2)8-7-9-20(24)3/h7-13,22H,4-6,14-17H2,1-3H3,(H,25,27)/t22-/m1/s1.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 380.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 35043931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).