(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one

C22H23NO4 — CID 121263053

IUPAC(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(COCc2ccccc2)OCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H23NO4/c1-2-13-22(17-26-16-18-9-5-3-6-10-18)21(25)23(14-15-27-22)20(24)19-11-7-4-8-12-19/h2-12H,1,13-17H2/t22-/m1/s1
InChIKeyNPEDMQUOKRYIIA-JOCHJYFZSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds7

About (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one

(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one (PubChem CID 121263053) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one.

Molecular Properties

Compound Name(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one
PubChem CID121263053
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one
SMILESC=CC[C@]1(COCc2ccccc2)OCCN(C(=O)c2ccccc2)C1=O
InChIInChI=1S/C22H23NO4/c1-2-13-22(17-26-16-18-9-5-3-6-10-18)21(25)23(14-15-27-22)20(24)19-11-7-4-8-12-19/h2-12H,1,13-17H2/t22-/m1/s1
InChIKeyNPEDMQUOKRYIIA-JOCHJYFZSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one?
The IUPAC name of (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one (CID 121263053) is (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one.
What is the SMILES notation for (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one?
The canonical SMILES for (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one is C=CC[C@]1(COCc2ccccc2)OCCN(C(=O)c2ccccc2)C1=O.
What is the InChIKey of (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one?
The InChIKey is NPEDMQUOKRYIIA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-13-22(17-26-16-18-9-5-3-6-10-18)21(25)23(14-15-27-22)20(24)19-11-7-4-8-12-19/h2-12H,1,13-17H2/t22-/m1/s1.
What are the key properties of (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one?
(2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one has a molecular weight of 365.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzoyl-2-(phenylmethoxymethyl)-2-prop-2-enylmorpholin-3-one is sourced from PubChem (CID 121263053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).