(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one

C20H23NO2 — CID 102009380

IUPAC(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
SMILESCCCC1C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-9-18-20(22)23-15-19(17-12-7-4-8-13-17)21(18)14-16-10-5-3-6-11-16/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18?,19-/m0/s1
InChIKeyWRMCPTXQZQKJEF-GGYWPGCISA-N
MW309.41 g/mol
LogP3.96
Rot. Bonds5

About (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one

(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one (PubChem CID 102009380) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one.

Molecular Properties

Compound Name(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
PubChem CID102009380
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
SMILESCCCC1C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-9-18-20(22)23-15-19(17-12-7-4-8-13-17)21(18)14-16-10-5-3-6-11-16/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18?,19-/m0/s1
InChIKeyWRMCPTXQZQKJEF-GGYWPGCISA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,5S)-4-benzyl-2,3-dimethyl-5-phenylmorpholine
CID 140974143
(2R,4R)-3-benzyl-4-phenyl-2-(2-phenylethyl)-1,3-oxazolidine
CID 11067883
1-benzyl-5-phenyl-3-propyl-5H-4,1-benzoxazepin-2-one
CID 56980414
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
CID 10825058
(3R,4S)-4-butyl-3-phenyloxolan-2-one
CID 12063781
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(3S,4R)-4-pentyl-3-phenyloxolan-2-one
CID 102094914
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
CID 11782223
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240

Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one?
The IUPAC name of (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one (CID 102009380) is (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one.
What is the SMILES notation for (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one?
The canonical SMILES for (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one is CCCC1C(=O)OC[C@@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one?
The InChIKey is WRMCPTXQZQKJEF-GGYWPGCISA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-9-18-20(22)23-15-19(17-12-7-4-8-13-17)21(18)14-16-10-5-3-6-11-16/h3-8,10-13,18-19H,2,9,14-15H2,1H3/t18?,19-/m0/s1.
What are the key properties of (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one?
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one is sourced from PubChem (CID 102009380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).