2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C26H36N2O2 — CID 35579021

IUPAC2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1
InChIInChI=1S/C26H36N2O2/c1-5-20-8-10-21(11-9-20)24(28-16-6-7-17-28)18-27-25(29)19-30-23-14-12-22(13-15-23)26(2,3)4/h8-15,24H,5-7,16-19H2,1-4H3,(H,27,29)/t24-/m1/s1
InChIKeyFKDARTITVNUKGB-XMMPIXPASA-N
MW408.59 g/mol
LogP4.88
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 35579021) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID35579021
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1
InChIInChI=1S/C26H36N2O2/c1-5-20-8-10-21(11-9-20)24(28-16-6-7-17-28)18-27-25(29)19-30-23-14-12-22(13-15-23)26(2,3)4/h8-15,24H,5-7,16-19H2,1-4H3,(H,27,29)/t24-/m1/s1
InChIKeyFKDARTITVNUKGB-XMMPIXPASA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 35579383
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 34949571
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 35579021) is 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is CCc1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is FKDARTITVNUKGB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H36N2O2/c1-5-20-8-10-21(11-9-20)24(28-16-6-7-17-28)18-27-25(29)19-30-23-14-12-22(13-15-23)26(2,3)4/h8-15,24H,5-7,16-19H2,1-4H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 408.59 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 35579021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).