4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one

C15H22N2O2 — CID 106189161

IUPAC4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
SMILESCC(C)c1ccc(C(O)CNC2CNC(=O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)11-3-5-12(6-4-11)14(18)9-16-13-7-15(19)17-8-13/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyBAWMKZHEDYOFRI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds5

About 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one

4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one (PubChem CID 106189161) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
PubChem CID106189161
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
SMILESCC(C)c1ccc(C(O)CNC2CNC(=O)C2)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)11-3-5-12(6-4-11)14(18)9-16-13-7-15(19)17-8-13/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyBAWMKZHEDYOFRI-UHFFFAOYSA-N
XLogP1.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
CID 63663369
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
CID 106189351
4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 106188907
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 64733261
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one (CID 106189161) is 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one is CC(C)c1ccc(C(O)CNC2CNC(=O)C2)cc1.
What is the InChIKey of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is BAWMKZHEDYOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)11-3-5-12(6-4-11)14(18)9-16-13-7-15(19)17-8-13/h3-6,10,13-14,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one?
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106189161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).