N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide

C12H20N4O3 — CID 118987073

IUPACN-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCOCCOCCN=[N+]=[N-])C(=O)C=C
InChIInChI=1S/C12H20N4O3/c1-3-6-16(12(17)4-2)7-9-19-11-10-18-8-5-14-15-13/h3-4H,1-2,5-11H2
InChIKeyDQRVXCJOFZZISU-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.53
Rot. Bonds12

About N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide

N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide (PubChem CID 118987073) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide
PubChem CID118987073
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCOCCOCCN=[N+]=[N-])C(=O)C=C
InChIInChI=1S/C12H20N4O3/c1-3-6-16(12(17)4-2)7-9-19-11-10-18-8-5-14-15-13/h3-4H,1-2,5-11H2
InChIKeyDQRVXCJOFZZISU-UHFFFAOYSA-N
XLogP1.53
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide (CID 118987073) is N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide is C=CCN(CCOCCOCCN=[N+]=[N-])C(=O)C=C.
What is the InChIKey of N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is DQRVXCJOFZZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-6-16(12(17)4-2)7-9-19-11-10-18-8-5-14-15-13/h3-4H,1-2,5-11H2.
What are the key properties of N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide?
N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 1.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 118987073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).