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

C22H32N2O3 — CID 166541523

IUPAC2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)17-8-6-16(7-9-17)15-24-18(10-11-21(24)26)13-20(25)23-14-19-5-4-12-27-19/h6-9,18-19H,4-5,10-15H2,1-3H3,(H,23,25)
InChIKeyJHLIHLDZSTVSNV-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.16
Rot. Bonds6

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

2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 166541523) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID166541523
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H32N2O3/c1-22(2,3)17-8-6-16(7-9-17)15-24-18(10-11-21(24)26)13-20(25)23-14-19-5-4-12-27-19/h6-9,18-19H,4-5,10-15H2,1-3H3,(H,23,25)
InChIKeyJHLIHLDZSTVSNV-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
(2S)-1-benzyl-N-[3,4-dioxo-4-[[(2S)-oxolan-2-yl]methylamino]-1-phenylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67095395
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1071254
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 17447672

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 166541523) is 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide is CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JHLIHLDZSTVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-22(2,3)17-8-6-16(7-9-17)15-24-18(10-11-21(24)26)13-20(25)23-14-19-5-4-12-27-19/h6-9,18-19H,4-5,10-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[1-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 3.16, 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 166541523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).