tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate

C12H25N2O6P — CID 134929543

IUPACtert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
SMILESCCOP(=O)(CNC(=O)CNC(=O)OC(C)(C)C)OCC
InChIInChI=1S/C12H25N2O6P/c1-6-18-21(17,19-7-2)9-14-10(15)8-13-11(16)20-12(3,4)5/h6-9H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyWQMPUPJBCHCBKF-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.85
Rot. Bonds8

About tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate

tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate (PubChem CID 134929543) has the molecular formula C12H25N2O6P and a molecular weight of 324.31 g/mol. Its IUPAC name is tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
PubChem CID134929543
Molecular FormulaC12H25N2O6P
Molecular Weight324.31 g/mol
Exact Mass324.15
IUPAC Nametert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
SMILESCCOP(=O)(CNC(=O)CNC(=O)OC(C)(C)C)OCC
InChIInChI=1S/C12H25N2O6P/c1-6-18-21(17,19-7-2)9-14-10(15)8-13-11(16)20-12(3,4)5/h6-9H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyWQMPUPJBCHCBKF-UHFFFAOYSA-N
XLogP1.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]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

tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
CID 10926216
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 15458754
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[1-(diethoxyphosphorylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
CID 72747858
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
tert-butyl N-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]carbamate
CID 134417923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate (CID 134929543) is tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate is CCOP(=O)(CNC(=O)CNC(=O)OC(C)(C)C)OCC.
What is the InChIKey of tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
The InChIKey is WQMPUPJBCHCBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O6P/c1-6-18-21(17,19-7-2)9-14-10(15)8-13-11(16)20-12(3,4)5/h6-9H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate has a molecular weight of 324.31 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 134929543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).