ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate

C12H24N6O6 — CID 86718998

IUPACethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
SMILESCCOC(=O)NNC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H24N6O6/c1-2-24-12(20)17-16-11(19)14-3-5-21-7-9-23-10-8-22-6-4-15-18-13/h2-10H2,1H3,(H,17,20)(H2,14,16,19)
InChIKeyRTRFEKIHVSZURN-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.31
Rot. Bonds13

About ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate

ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate (PubChem CID 86718998) has the molecular formula C12H24N6O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
PubChem CID86718998
Molecular FormulaC12H24N6O6
Molecular Weight348.36 g/mol
Exact Mass348.18
IUPAC Nameethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
SMILESCCOC(=O)NNC(=O)NCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C12H24N6O6/c1-2-24-12(20)17-16-11(19)14-3-5-21-7-9-23-10-8-22-6-4-15-18-13/h2-10H2,1H3,(H,17,20)(H2,14,16,19)
InChIKeyRTRFEKIHVSZURN-UHFFFAOYSA-N
XLogP0.31
TPSA155.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
CID 162489427
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
CID 169427331
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
CID 118283829
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate?
The IUPAC name of ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate (CID 86718998) is ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate.
What is the SMILES notation for ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate?
The canonical SMILES for ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate is CCOC(=O)NNC(=O)NCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate?
The InChIKey is RTRFEKIHVSZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O6/c1-2-24-12(20)17-16-11(19)14-3-5-21-7-9-23-10-8-22-6-4-15-18-13/h2-10H2,1H3,(H,17,20)(H2,14,16,19).
What are the key properties of ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate?
ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate has a molecular weight of 348.36 g/mol, XLogP of 0.31, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate is sourced from PubChem (CID 86718998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).