(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine

C20H24NOP — CID 25001005

IUPAC(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
SMILESCCN(CC)[P@]1(=O)C(c2ccccc2)=CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H24NOP/c1-3-21(4-2)23(22)19(17-11-7-5-8-12-17)15-16-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/t20-,23+/m1/s1
InChIKeyLMRSAOYOODEORC-OFNKIYASSA-N
MW325.39 g/mol
LogP5.79
Rot. Bonds5

About (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine

(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine (PubChem CID 25001005) has the molecular formula C20H24NOP and a molecular weight of 325.39 g/mol. Its IUPAC name is (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine.

Molecular Properties

Compound Name(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
PubChem CID25001005
Molecular FormulaC20H24NOP
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
SMILESCCN(CC)[P@]1(=O)C(c2ccccc2)=CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H24NOP/c1-3-21(4-2)23(22)19(17-11-7-5-8-12-17)15-16-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/t20-,23+/m1/s1
InChIKeyLMRSAOYOODEORC-OFNKIYASSA-N
XLogP5.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine
CID 134858625
(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
(3S)-N,N-diethyl-3-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]butanamide
CID 135033744
(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
(2S,5S)-1-(2-methylphenyl)-2,5-diphenyl-1λ5-phospholane 1-oxide
CID 11581020
CID 53230801
CID 53230801
(1R,2S)-1-benzyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-4-ol
CID 98531958
[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]methyl 4-methylbenzenesulfonate
CID 59622404
(2R,5R)-N,N-diethyl-2,5-diphenyl-2,5-dihydroborol-1-amine
CID 135082418
cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
CID 135033787
(2R,6S)-1-oxo-1,2,6-triphenyl-1lambda5-phosphinan-4-one
CID 12914054

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine?
The IUPAC name of (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine (CID 25001005) is (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine.
What is the SMILES notation for (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine?
The canonical SMILES for (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine is CCN(CC)[P@]1(=O)C(c2ccccc2)=CC[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine?
The InChIKey is LMRSAOYOODEORC-OFNKIYASSA-N. The full InChI is InChI=1S/C20H24NOP/c1-3-21(4-2)23(22)19(17-11-7-5-8-12-17)15-16-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/t20-,23+/m1/s1.
What are the key properties of (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine?
(1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine has a molecular weight of 325.39 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N-diethyl-1-oxo-2,5-diphenyl-2,3-dihydro-1λ5-phosphol-1-amine is sourced from PubChem (CID 25001005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).