tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate

C14H29N2O6P — CID 10926216

IUPACtert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
SMILESCCOP(=O)(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N2O6P/c1-8-20-23(19,9-15-11(17)21-13(2,3)4)10-16-12(18)22-14(5,6)7/h8-10H2,1-7H3,(H,15,17)(H,16,18)
InChIKeyXHMQECKEXGOWCR-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.27
Rot. Bonds6

About tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate

tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate (PubChem CID 10926216) has the molecular formula C14H29N2O6P and a molecular weight of 352.37 g/mol. Its IUPAC name is tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
PubChem CID10926216
Molecular FormulaC14H29N2O6P
Molecular Weight352.37 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate
SMILESCCOP(=O)(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N2O6P/c1-8-20-23(19,9-15-11(17)21-13(2,3)4)10-16-12(18)22-14(5,6)7/h8-10H2,1-7H3,(H,15,17)(H,16,18)
InChIKeyXHMQECKEXGOWCR-UHFFFAOYSA-N
XLogP3.27
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 134929543
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[1-[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]-2-phenylethyl]carbamate
CID 11004728
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(4-diethoxyphosphoryl-4-dimethylphosphoryl-4-fluorobutyl)carbamate
CID 134189842
tert-butyl N-(acetamidomethyl)carbamate
CID 5325897
tert-butyl N-(2-bromoethyl)carbamate;methane
CID 158621054
(4S)-5-(2-diethoxyphosphorylethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 118965928
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate (CID 10926216) is tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate is CCOP(=O)(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate?
The InChIKey is XHMQECKEXGOWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O6P/c1-8-20-23(19,9-15-11(17)21-13(2,3)4)10-16-12(18)22-14(5,6)7/h8-10H2,1-7H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate?
tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate has a molecular weight of 352.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[ethoxy-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phosphoryl]methyl]carbamate is sourced from PubChem (CID 10926216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).