(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine

C20H26NOP — CID 102200223

IUPAC(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
SMILESCCN(CC)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C20H26NOP/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/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+,23?
InChIKeyDNSUJEJAYSBQJA-DETIRCLXSA-N
MW327.41 g/mol
LogP5.88
Rot. Bonds5

About (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine

(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine (PubChem CID 102200223) has the molecular formula C20H26NOP and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine.

Molecular Properties

Compound Name(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
PubChem CID102200223
Molecular FormulaC20H26NOP
Molecular Weight327.41 g/mol
Exact Mass327.18
IUPAC Name(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine
SMILESCCN(CC)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C20H26NOP/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/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+,23?
InChIKeyDNSUJEJAYSBQJA-DETIRCLXSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The IUPAC name of (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine (CID 102200223) is (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine.
What is the SMILES notation for (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The canonical SMILES for (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine is CCN(CC)P1(=O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
The InChIKey is DNSUJEJAYSBQJA-DETIRCLXSA-N. The full InChI is InChI=1S/C20H26NOP/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/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+,23?.
What are the key properties of (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine?
(2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine has a molecular weight of 327.41 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N,N-diethyl-1-oxo-2,5-diphenyl-1λ5-phospholan-1-amine is sourced from PubChem (CID 102200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).