tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate

C10H19N2O6P — CID 141250925

IUPACtert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOP(=O)(O)OCCC#N
InChIInChI=1S/C10H19N2O6P/c1-10(2,3)18-9(13)12-6-8-17-19(14,15)16-7-4-5-11/h4,6-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFJUQTKPJTHAKPM-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.56
Rot. Bonds7

About tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate

tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate (PubChem CID 141250925) has the molecular formula C10H19N2O6P and a molecular weight of 294.24 g/mol. Its IUPAC name is tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate
PubChem CID141250925
Molecular FormulaC10H19N2O6P
Molecular Weight294.24 g/mol
Exact Mass294.10
IUPAC Nametert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOP(=O)(O)OCCC#N
InChIInChI=1S/C10H19N2O6P/c1-10(2,3)18-9(13)12-6-8-17-19(14,15)16-7-4-5-11/h4,6-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyFJUQTKPJTHAKPM-UHFFFAOYSA-N
XLogP1.56
TPSA117.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-cyanobutyl)carbamate
CID 45091902
methyl 3-[2-cyanoethoxy(hydroxy)phosphoryl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23420398
tert-butyl N-[2-(2-amino-2-oxoethoxy)ethyl]carbamate
CID 103658687
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-[3-cyanopropyl-[4-[3-cyanopropyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11092722
tert-butyl N-[6-[bis(2-cyanoethyl)amino]hexyl]carbamate
CID 59987226
tert-butyl N-[3-[3-cyanopropyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propyl]carbamate
CID 10787851
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
tert-butyl N-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethyl]carbamate
CID 146336566
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
tert-butyl N-[4-(2-cyanoethylamino)-5-methoxypentyl]carbamate
CID 103387651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate (CID 141250925) is tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOP(=O)(O)OCCC#N.
What is the InChIKey of tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
The InChIKey is FJUQTKPJTHAKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O6P/c1-10(2,3)18-9(13)12-6-8-17-19(14,15)16-7-4-5-11/h4,6-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate?
tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate has a molecular weight of 294.24 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-cyanoethoxy(hydroxy)phosphoryl]oxyethyl]carbamate is sourced from PubChem (CID 141250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).