(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine

C20H26NO4P — CID 67677578

IUPAC(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine
SMILESCOc1ccc(P(C)(=O)OC[C@H]2CN[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C20H26NO4P/c1-23-18-8-10-20(11-9-18)26(2,22)25-15-19-13-21-17(14-24-19)12-16-6-4-3-5-7-16/h3-11,17,19,21H,12-15H2,1-2H3/t17-,19+,26?/m0/s1
InChIKeyMPAVSJKIWPQPLQ-RDATUHMCSA-N
MW375.41 g/mol
LogP2.84
Rot. Bonds7

About (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine

(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine (PubChem CID 67677578) has the molecular formula C20H26NO4P and a molecular weight of 375.41 g/mol. Its IUPAC name is (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine
PubChem CID67677578
Molecular FormulaC20H26NO4P
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Name(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine
SMILESCOc1ccc(P(C)(=O)OC[C@H]2CN[C@@H](Cc3ccccc3)CO2)cc1
InChIInChI=1S/C20H26NO4P/c1-23-18-8-10-20(11-9-18)26(2,22)25-15-19-13-21-17(14-24-19)12-16-6-4-3-5-7-16/h3-11,17,19,21H,12-15H2,1-2H3/t17-,19+,26?/m0/s1
InChIKeyMPAVSJKIWPQPLQ-RDATUHMCSA-N
XLogP2.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine?
The IUPAC name of (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine (CID 67677578) is (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine.
What is the SMILES notation for (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine?
The canonical SMILES for (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine is COc1ccc(P(C)(=O)OC[C@H]2CN[C@@H](Cc3ccccc3)CO2)cc1.
What is the InChIKey of (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine?
The InChIKey is MPAVSJKIWPQPLQ-RDATUHMCSA-N. The full InChI is InChI=1S/C20H26NO4P/c1-23-18-8-10-20(11-9-18)26(2,22)25-15-19-13-21-17(14-24-19)12-16-6-4-3-5-7-16/h3-11,17,19,21H,12-15H2,1-2H3/t17-,19+,26?/m0/s1.
What are the key properties of (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine?
(2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine has a molecular weight of 375.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-benzyl-2-[[(4-methoxyphenyl)-methylphosphoryl]oxymethyl]morpholine is sourced from PubChem (CID 67677578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).