(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide

C19H24NO3P — CID 10617498

IUPAC(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
SMILESCC[C@H]1N(Cc2ccccc2)[C@H](c2ccccc2)COP1(=O)OC
InChIInChI=1S/C19H24NO3P/c1-3-19-20(14-16-10-6-4-7-11-16)18(15-23-24(19,21)22-2)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,24?/m0/s1
InChIKeyFASBCJDCRSYODI-QHEXFSSWSA-N
MW345.38 g/mol
LogP4.84
Rot. Bonds5

About (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide

(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide (PubChem CID 10617498) has the molecular formula C19H24NO3P and a molecular weight of 345.38 g/mol. Its IUPAC name is (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
PubChem CID10617498
Molecular FormulaC19H24NO3P
Molecular Weight345.38 g/mol
Exact Mass345.15
IUPAC Name(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
SMILESCC[C@H]1N(Cc2ccccc2)[C@H](c2ccccc2)COP1(=O)OC
InChIInChI=1S/C19H24NO3P/c1-3-19-20(14-16-10-6-4-7-11-16)18(15-23-24(19,21)22-2)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,24?/m0/s1
InChIKeyFASBCJDCRSYODI-QHEXFSSWSA-N
XLogP4.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-Benzyl-1-methylpiperidin-1-ium-4-yl) hexadecyl phosphate
CID 23641432
(R)-1-benzyl-2-((R)-2-methoxy-1-phenylethyl)piperidine
CID 16719672
2-(1,1-Dibenzylpiperidin-1-ium-4-yl)ethyl octadecyl phosphate;hydrate
CID 45271313
2-[Benzyl(dimethyl)ammonio]ethyl hexadecyl phosphate
CID 71817488
2-[Benzyl(dimethyl)ammonio]ethyl tetradecyl phosphate
CID 71817490
2-[Benzyl(dimethyl)ammonio]ethyl octadecyl phosphate
CID 71817492
(2R)-2-[(2R,6R)-2-methyl-6-phenylpiperidin-1-yl]-2-phenylethanol
CID 15837207
N-[[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl]oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
CID 11048088
4-Benzyl-3-(4-fluorophenyl)morpholine
CID 57212944
(1-Benzyl-1-methylpiperidin-1-ium-4-yl) octadecyl phosphate
CID 58922557
(3S)-4-benzyl-3-(4-fluorophenyl)morpholine
CID 91128502
(3R)-3-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 142102077

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The IUPAC name of (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide (CID 10617498) is (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The canonical SMILES for (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide is CC[C@H]1N(Cc2ccccc2)[C@H](c2ccccc2)COP1(=O)OC.
What is the InChIKey of (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
The InChIKey is FASBCJDCRSYODI-QHEXFSSWSA-N. The full InChI is InChI=1S/C19H24NO3P/c1-3-19-20(14-16-10-6-4-7-11-16)18(15-23-24(19,21)22-2)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,24?/m0/s1.
What are the key properties of (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide?
(3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide has a molecular weight of 345.38 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-benzyl-3-ethyl-2-methoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 10617498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).