bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate

C13H29N2O6P — CID 168835594

IUPACbis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H29N2O6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)15-9-8-14-7/h14H,8-10H2,1-7H3,(H,15,16)
InChIKeyVIKJUWWPJCFAMB-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.64
Rot. Bonds8

About bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate

bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 168835594) has the molecular formula C13H29N2O6P and a molecular weight of 340.36 g/mol. Its IUPAC name is bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Namebis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate
PubChem CID168835594
Molecular FormulaC13H29N2O6P
Molecular Weight340.36 g/mol
Exact Mass340.18
IUPAC Namebis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H29N2O6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)15-9-8-14-7/h14H,8-10H2,1-7H3,(H,15,16)
InChIKeyVIKJUWWPJCFAMB-UHFFFAOYSA-N
XLogP2.64
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-methyl-2-(methylamino)propanoate
CID 168835460
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylamino]ethyl ditert-butyl phosphate
CID 88578447
ditert-butyl methylsulfonylmethyl phosphate
CID 156782919
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl 2-phenylmethoxyacetate
CID 168835403
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258

Frequently Asked Questions

What is the IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate (CID 168835594) is bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OCOP(=O)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is VIKJUWWPJCFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N2O6P/c1-12(2,3)20-22(17,21-13(4,5)6)19-10-18-11(16)15-9-8-14-7/h14H,8-10H2,1-7H3,(H,15,16).
What are the key properties of bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate?
bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 340.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 168835594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).