1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine

C26H30NO3P — CID 102449166

IUPAC1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
SMILESCC1(P(=O)(OCc2ccccc2)OCc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C26H30NO3P/c1-26(18-11-19-27(26)20-23-12-5-2-6-13-23)31(28,29-21-24-14-7-3-8-15-24)30-22-25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3
InChIKeyQCVRMSVEKJBJSI-UHFFFAOYSA-N
MW435.50 g/mol
LogP6.63
Rot. Bonds9

About 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine

1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine (PubChem CID 102449166) has the molecular formula C26H30NO3P and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
PubChem CID102449166
Molecular FormulaC26H30NO3P
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
SMILESCC1(P(=O)(OCc2ccccc2)OCc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C26H30NO3P/c1-26(18-11-19-27(26)20-23-12-5-2-6-13-23)31(28,29-21-24-14-7-3-8-15-24)30-22-25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3
InChIKeyQCVRMSVEKJBJSI-UHFFFAOYSA-N
XLogP6.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 56.63
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

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CID 15031760
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
1-phenyl-N-[phenyl(phenylmethoxy)phosphoryl]methanamine
CID 143869057
(2S,5S)-4-benzyl-2-ethoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 11427522
(3R,5S)-4-Butyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13118868
(3R,5R)-4-butyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13118869
(3R,5S)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169761
(3R,5R)-4-ethyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169762
(3R,5S)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169764
(3R,5R)-4-methyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169765
(3R,5S)-4-benzyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 13169767

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine?
The IUPAC name of 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine (CID 102449166) is 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine.
What is the SMILES notation for 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine?
The canonical SMILES for 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine is CC1(P(=O)(OCc2ccccc2)OCc2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine?
The InChIKey is QCVRMSVEKJBJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NO3P/c1-26(18-11-19-27(26)20-23-12-5-2-6-13-23)31(28,29-21-24-14-7-3-8-15-24)30-22-25-16-9-4-10-17-25/h2-10,12-17H,11,18-22H2,1H3.
What are the key properties of 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine?
1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine has a molecular weight of 435.50 g/mol, XLogP of 6.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine is sourced from PubChem (CID 102449166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).