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

C24H32N2O2 — CID 35579383

IUPAC2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(27)25-17-22(26-15-7-8-16-26)19-9-5-4-6-10-19/h4-6,9-14,22H,7-8,15-18H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyZQMIYFRSPAAWKD-JOCHJYFZSA-N
MW380.53 g/mol
LogP4.32
Rot. Bonds7

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

2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 35579383) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID35579383
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(27)25-17-22(26-15-7-8-16-26)19-9-5-4-6-10-19/h4-6,9-14,22H,7-8,15-18H2,1-3H3,(H,25,27)/t22-/m1/s1
InChIKeyZQMIYFRSPAAWKD-JOCHJYFZSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35579021
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(4-bromophenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799067
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
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
2-(4-chloro-3-methylphenoxy)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8799085
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
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-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 35579383) is 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is ZQMIYFRSPAAWKD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)20-11-13-21(14-12-20)28-18-23(27)25-17-22(26-15-7-8-16-26)19-9-5-4-6-10-19/h4-6,9-14,22H,7-8,15-18H2,1-3H3,(H,25,27)/t22-/m1/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-tert-butylphenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 380.53 g/mol, XLogP of 4.32, 7 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-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 35579383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).