4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C16H23NO4 — CID 123267795

IUPAC4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO4/c1-11(12-4-6-14(21-3)7-5-12)17-9-13(8-16(17)19)15(18)10-20-2/h4-7,11,13,15,18H,8-10H2,1-3H3
InChIKeyQGTQFNCCHHJZBH-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.61
Rot. Bonds6

About 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 123267795) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID123267795
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO4/c1-11(12-4-6-14(21-3)7-5-12)17-9-13(8-16(17)19)15(18)10-20-2/h4-7,11,13,15,18H,8-10H2,1-3H3
InChIKeyQGTQFNCCHHJZBH-UHFFFAOYSA-N
XLogP1.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 123267795) is 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COCC(O)C1CC(=O)N(C(C)c2ccc(OC)cc2)C1.
What is the InChIKey of 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is QGTQFNCCHHJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(12-4-6-14(21-3)7-5-12)17-9-13(8-16(17)19)15(18)10-20-2/h4-7,11,13,15,18H,8-10H2,1-3H3.
What are the key properties of 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 293.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methoxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123267795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).