[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate

C11H21N2O7P — CID 71825418

IUPAC[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate
SMILESCCOP(=O)(OCC)C(=NOC(=O)OCC(C)C)C(N)=O
InChIInChI=1S/C11H21N2O7P/c1-5-18-21(16,19-6-2)10(9(12)14)13-20-11(15)17-7-8(3)4/h8H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFPBKXXYQOSFBRO-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.86
Rot. Bonds9

About [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate

[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate (PubChem CID 71825418) has the molecular formula C11H21N2O7P and a molecular weight of 324.27 g/mol. Its IUPAC name is [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate
PubChem CID71825418
Molecular FormulaC11H21N2O7P
Molecular Weight324.27 g/mol
Exact Mass324.11
IUPAC Name[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate
SMILESCCOP(=O)(OCC)C(=NOC(=O)OCC(C)C)C(N)=O
InChIInChI=1S/C11H21N2O7P/c1-5-18-21(16,19-6-2)10(9(12)14)13-20-11(15)17-7-8(3)4/h8H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFPBKXXYQOSFBRO-UHFFFAOYSA-N
XLogP1.86
TPSA126.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-(2-amino-1-cyano-2-oxoethylidene)amino] 2-methylpropyl carbonate
CID 88659258
2-methylpropanamide;triethyl phosphate
CID 155316510
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
CID 87617764
hydroxy 2-methylpropyl carbonate
CID 140981524
2-methylpropyl propan-2-yloxy carbonate
CID 150489292
ethyl N-[bis(diethoxyphosphoryl)methylidene]carbamate
CID 134917403
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate
CID 23421899
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
2-methylpropyl 2-propylpentyl carbonate
CID 138486320

Frequently Asked Questions

What is the IUPAC name of [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate?
The IUPAC name of [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate (CID 71825418) is [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate.
What is the SMILES notation for [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate?
The canonical SMILES for [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate is CCOP(=O)(OCC)C(=NOC(=O)OCC(C)C)C(N)=O.
What is the InChIKey of [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate?
The InChIKey is FPBKXXYQOSFBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O7P/c1-5-18-21(16,19-6-2)10(9(12)14)13-20-11(15)17-7-8(3)4/h8H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate?
[(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate has a molecular weight of 324.27 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-1-diethoxyphosphoryl-2-oxoethylidene)amino] 2-methylpropyl carbonate is sourced from PubChem (CID 71825418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).