methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate

C14H20NO6P — CID 2133146

IUPACmethyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
SMILESCCOP(=O)(OCC)[C@H](NC(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H20NO6P/c1-4-20-22(18,21-5-2)13(15-14(17)19-3)12(16)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyWDWBXHJCRBUCSS-ZDUSSCGKSA-N
MW329.29 g/mol
LogP2.82
Rot. Bonds8

About methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate

methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate (PubChem CID 2133146) has the molecular formula C14H20NO6P and a molecular weight of 329.29 g/mol. Its IUPAC name is methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
PubChem CID2133146
Molecular FormulaC14H20NO6P
Molecular Weight329.29 g/mol
Exact Mass329.10
IUPAC Namemethyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
SMILESCCOP(=O)(OCC)[C@H](NC(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H20NO6P/c1-4-20-22(18,21-5-2)13(15-14(17)19-3)12(16)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyWDWBXHJCRBUCSS-ZDUSSCGKSA-N
XLogP2.82
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate 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

2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 3090786
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
methyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 766450
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
(2R,3S)-3-diethoxyphosphoryl-3-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 11771778
N-(2,2-dichloro-1-diethoxyphosphoryl-3-oxo-3-phenylpropyl)acetamide
CID 2784690
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
[(1R)-1-diethoxyphosphorylethyl] benzoate
CID 101479504
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate (CID 2133146) is methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate is CCOP(=O)(OCC)[C@H](NC(=O)OC)C(=O)c1ccccc1.
What is the InChIKey of methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate?
The InChIKey is WDWBXHJCRBUCSS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20NO6P/c1-4-20-22(18,21-5-2)13(15-14(17)19-3)12(16)11-9-7-6-8-10-11/h6-10,13H,4-5H2,1-3H3,(H,15,17)/t13-/m0/s1.
What are the key properties of methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate?
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate has a molecular weight of 329.29 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate is sourced from PubChem (CID 2133146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).