2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C24H32N2O3 — CID 40776120

IUPAC2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-18-13-19(2)15-22(14-18)29-17-24(27)25-16-23(26-11-5-4-6-12-26)20-7-9-21(28-3)10-8-20/h7-10,13-15,23H,4-6,11-12,16-17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyWWNKHHINVBSDIR-HSZRJFAPSA-N
MW396.53 g/mol
LogP4.03
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 40776120) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID40776120
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-18-13-19(2)15-22(14-18)29-17-24(27)25-16-23(26-11-5-4-6-12-26)20-7-9-21(28-3)10-8-20/h7-10,13-15,23H,4-6,11-12,16-17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyWWNKHHINVBSDIR-HSZRJFAPSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(3,4-dimethylphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014583
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[(2S)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 34953202
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 18111378
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 40776120) is 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCC2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is WWNKHHINVBSDIR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18-13-19(2)15-22(14-18)29-17-24(27)25-16-23(26-11-5-4-6-12-26)20-7-9-21(28-3)10-8-20/h7-10,13-15,23H,4-6,11-12,16-17H2,1-3H3,(H,25,27)/t23-/m1/s1.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 40776120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).