2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide

C24H31N3O2 — CID 166541858

IUPAC2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)19-9-7-18(8-10-19)17-27-21(11-12-23(27)29)16-22(28)26-15-13-20-6-4-5-14-25-20/h4-10,14,21H,11-13,15-17H2,1-3H3,(H,26,28)
InChIKeyCFOGSCYUTVEZFZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.62
Rot. Bonds7

About 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide

2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 166541858) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID166541858
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide
SMILESCC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C24H31N3O2/c1-24(2,3)19-9-7-18(8-10-19)17-27-21(11-12-23(27)29)16-22(28)26-15-13-20-6-4-5-14-25-20/h4-10,14,21H,11-13,15-17H2,1-3H3,(H,26,28)
InChIKeyCFOGSCYUTVEZFZ-UHFFFAOYSA-N
XLogP3.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dichlorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541716
(2S)-1-benzyl-N-[3,4-dioxo-1-phenyl-4-(2-pyridin-2-ylethylamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67095100
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
2-(1-methylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115178439
2-[(1R,2R)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 54406860
(5R)-1-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 125160339
3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627982
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 79608018
2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylsulfonylacetamide
CID 166541670
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 166541754
(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851690

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide (CID 166541858) is 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide is CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is CFOGSCYUTVEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,3)19-9-7-18(8-10-19)17-27-21(11-12-23(27)29)16-22(28)26-15-13-20-6-4-5-14-25-20/h4-10,14,21H,11-13,15-17H2,1-3H3,(H,26,28).
What are the key properties of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide?
2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 166541858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).