(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine

C36H42N2O2P2 — CID 161151389

IUPAC(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
SMILESCN(C)P1(=O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1.CN(C)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H22NOP.C18H20NOP/c2*1-19(2)21(20)17(15-9-5-3-6-10-15)13-14-18(21)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3;3-14,17-18H,1-2H3/t2*17-,18+,21?
InChIKeyUOSLMSBNZCKJKR-WDRJFKBLSA-N
MW596.69 g/mol
LogP9.98
Rot. Bonds6

About (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine

(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine (PubChem CID 161151389) has the molecular formula C36H42N2O2P2 and a molecular weight of 596.69 g/mol. Its IUPAC name is (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine.

Molecular Properties

Compound Name(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
PubChem CID161151389
Molecular FormulaC36H42N2O2P2
Molecular Weight596.69 g/mol
Exact Mass596.27
IUPAC Name(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
SMILESCN(C)P1(=O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1.CN(C)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C18H22NOP.C18H20NOP/c2*1-19(2)21(20)17(15-9-5-3-6-10-15)13-14-18(21)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3;3-14,17-18H,1-2H3/t2*17-,18+,21?
InChIKeyUOSLMSBNZCKJKR-WDRJFKBLSA-N
XLogP9.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.69
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
CID 102200223
(2R,5S)-N,N-diethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine
CID 25001004
(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
CID 11581020
methyl (2S)-6-amino-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]-phenylmethoxycarbonylamino]hexanoate
CID 122228751
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
CID 12914054
1-methyl-4-phenylpiperidin-1-ium bromide
CID 143406575
1-methyl-4-phenylpiperidin-1-ium iodide
CID 142626805
(2R,5R)-1-methyl-2,5-diphenylphospholane
CID 87307913
1,1-dimethyl-3-phenylsiletane
CID 11332797
1,1-dimethyl-2,5-diphenylsilolane
CID 13168396
(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
CID 25001005
(1S,2S)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
CID 134858625

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The IUPAC name of (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine (CID 161151389) is (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine.
What is the SMILES notation for (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The canonical SMILES for (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine is CN(C)P1(=O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1.CN(C)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The InChIKey is UOSLMSBNZCKJKR-WDRJFKBLSA-N. The full InChI is InChI=1S/C18H22NOP.C18H20NOP/c2*1-19(2)21(20)17(15-9-5-3-6-10-15)13-14-18(21)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3;3-14,17-18H,1-2H3/t2*17-,18+,21?.
What are the key properties of (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
(2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine has a molecular weight of 596.69 g/mol, XLogP of 9.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-N,N-dimethyl-1-oxo-2,5-diphenyl-2,5-dihydro-1λ5-phosphol-1-amine;(2S,5R)-N,N-dimethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine is sourced from PubChem (CID 161151389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).