(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one

C20H23NO2 — CID 3246488

IUPAC(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23NO2/c1-16(20(22)18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)21-12-14-23-15-13-21/h2-11,16,19H,12-15H2,1H3/t16-,19-/m0/s1
InChIKeyRUSXYSPNUUXXDR-LPHOPBHVSA-N
MW309.41 g/mol
LogP3.58
Rot. Bonds5

About (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one

(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one (PubChem CID 3246488) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one
PubChem CID3246488
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one
SMILESC[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H23NO2/c1-16(20(22)18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)21-12-14-23-15-13-21/h2-11,16,19H,12-15H2,1H3/t16-,19-/m0/s1
InChIKeyRUSXYSPNUUXXDR-LPHOPBHVSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one?
The IUPAC name of (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one (CID 3246488) is (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one.
What is the SMILES notation for (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one?
The canonical SMILES for (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one is C[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one?
The InChIKey is RUSXYSPNUUXXDR-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H23NO2/c1-16(20(22)18-10-6-3-7-11-18)19(17-8-4-2-5-9-17)21-12-14-23-15-13-21/h2-11,16,19H,12-15H2,1H3/t16-,19-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one?
(2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-morpholin-4-yl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 3246488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).