1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one

C20H24N2O2 — CID 3075721

IUPAC1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-18(15-22-13-7-12-19(22)24)14-21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20-21,23H,7,12-15H2
InChIKeyNZWUBIVBYPPDDB-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.35
Rot. Bonds7

About 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 3075721) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID3075721
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c23-18(15-22-13-7-12-19(22)24)14-21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20-21,23H,7,12-15H2
InChIKeyNZWUBIVBYPPDDB-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one (CID 3075721) is 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is NZWUBIVBYPPDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-18(15-22-13-7-12-19(22)24)14-21-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18,20-21,23H,7,12-15H2.
What are the key properties of 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 3075721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).