1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one

C19H28N2O3 — CID 111116632

IUPAC1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC1COC(c2ccccc2)C(C)N1CC(O)CN1CCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)12-17(22)11-20-10-6-9-18(20)23/h3-5,7-8,14-15,17,19,22H,6,9-13H2,1-2H3
InChIKeyYSOGTKJZEFNUJW-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.82
Rot. Bonds5

About 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116632) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116632
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC1COC(c2ccccc2)C(C)N1CC(O)CN1CCCC1=O
InChIInChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)12-17(22)11-20-10-6-9-18(20)23/h3-5,7-8,14-15,17,19,22H,6,9-13H2,1-2H3
InChIKeyYSOGTKJZEFNUJW-UHFFFAOYSA-N
XLogP1.82
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
CID 129415062
1-[(2R)-2-hydroxy-3-[(2R,6R)-2-(2-methoxyphenyl)-6-methylpiperidin-1-yl]propyl]pyrrolidin-2-one
CID 124738755
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111799526
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one (CID 111116632) is 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one is CC1COC(c2ccccc2)C(C)N1CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is YSOGTKJZEFNUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-13-24-19(16-7-4-3-5-8-16)15(2)21(14)12-17(22)11-20-10-6-9-18(20)23/h3-5,7-8,14-15,17,19,22H,6,9-13H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 332.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-2-phenylmorpholin-4-yl)-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).