(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one

C19H22N2O2 — CID 134835242

IUPAC(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H](NCc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H22N2O2/c1-14-17(16-11-7-4-8-12-16)23-18(19(22)21(14)2)20-13-15-9-5-3-6-10-15/h3-12,14,17-18,20H,13H2,1-2H3/t14-,17+,18-/m0/s1
InChIKeyFFEVNTAUZWRTCP-QGTPRVQTSA-N
MW310.40 g/mol
LogP2.72
Rot. Bonds4

About (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one

(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one (PubChem CID 134835242) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one
PubChem CID134835242
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one
SMILESC[C@H]1[C@H](c2ccccc2)O[C@H](NCc2ccccc2)C(=O)N1C
InChIInChI=1S/C19H22N2O2/c1-14-17(16-11-7-4-8-12-16)23-18(19(22)21(14)2)20-13-15-9-5-3-6-10-15/h3-12,14,17-18,20H,13H2,1-2H3/t14-,17+,18-/m0/s1
InChIKeyFFEVNTAUZWRTCP-QGTPRVQTSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one?
The IUPAC name of (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one (CID 134835242) is (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one is C[C@H]1[C@H](c2ccccc2)O[C@H](NCc2ccccc2)C(=O)N1C.
What is the InChIKey of (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one?
The InChIKey is FFEVNTAUZWRTCP-QGTPRVQTSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-17(16-11-7-4-8-12-16)23-18(19(22)21(14)2)20-13-15-9-5-3-6-10-15/h3-12,14,17-18,20H,13H2,1-2H3/t14-,17+,18-/m0/s1.
What are the key properties of (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one?
(2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one has a molecular weight of 310.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-2-(benzylamino)-4,5-dimethyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 134835242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).