ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate

C19H22NO4P — CID 10237094

IUPACethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate
SMILESCCOC(=O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1
InChIInChI=1S/C19H22NO4P/c1-2-23-19(21)15-20-18(16-9-5-3-6-10-16)13-14-24-25(20,22)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyLUHOPVXNRMGRQT-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate

ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate (PubChem CID 10237094) has the molecular formula C19H22NO4P and a molecular weight of 359.36 g/mol. Its IUPAC name is ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate
PubChem CID10237094
Molecular FormulaC19H22NO4P
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Nameethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate
SMILESCCOC(=O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1
InChIInChI=1S/C19H22NO4P/c1-2-23-19(21)15-20-18(16-9-5-3-6-10-16)13-14-24-25(20,22)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyLUHOPVXNRMGRQT-UHFFFAOYSA-N
XLogP3.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.53
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

(4R)-4-phenyl-7-[(E)-2-phenylethenyl]-3,4,6,8a-tetrahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 23806230
methyl (2S)-2-[[[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-methylphosphoryl]oxy-methylphosphoryl]-prop-2-enylamino]-3-phenylpropanoate
CID 10531241
methyl (2S)-2-[[[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-methylphosphoryl]oxy-methylphosphoryl]-prop-2-enylamino]-3-phenylpropanoate
CID 10698397
methyl (2S)-2-[[[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-methylphosphoryl]oxy-methylphosphoryl]-prop-2-enylamino]-3-phenylpropanoate
CID 10745735
(2S,5S)-4-benzyl-2-ethoxy-5-phenyl-1,4,2lambda5-oxazaphosphinane 2-oxide
CID 11427522
ethyl N-benzhydrylpipecolinate
CID 11461470
(3S)-3,4-dibenzylmorpholin-2-one
CID 51050415
ethyl N-[(phenyl)(diethoxyphosphoryl)methyl]-phenylalaninate
CID 129746301
Tert-butyl 2-[(1-diethoxyphosphoryl-1-phenylethyl)amino]-3-phenylpropanoate
CID 135002890
methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate
CID 10496711
Ethyl 2-(benzyl((diethoxyphosphoryl)methyl)amino)acetate
CID 13557106
3-(Dibenzylamino)-4-(dimethoxyphosphorylmethyl)oxolan-2-one
CID 17911834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate (CID 10237094) is ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate is CCOC(=O)CN1C(c2ccccc2)CCOP1(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate?
The InChIKey is LUHOPVXNRMGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO4P/c1-2-23-19(21)15-20-18(16-9-5-3-6-10-16)13-14-24-25(20,22)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3.
What are the key properties of ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate?
ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate has a molecular weight of 359.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-2,4-diphenyl-1,3,2λ5-oxazaphosphinan-3-yl)acetate is sourced from PubChem (CID 10237094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).