N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide

C13H22N2O4 — CID 15608862

IUPACN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)OCCNC(=O)C=C
InChIInChI=1S/C13H22N2O4/c1-5-11(16)14-7-9-18-13(3,4)19-10-8-15-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,14,16)(H,15,17)
InChIKeyOGEUUMQFAMQNFK-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.36
Rot. Bonds10

About N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide

N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide (PubChem CID 15608862) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide
PubChem CID15608862
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)OCCNC(=O)C=C
InChIInChI=1S/C13H22N2O4/c1-5-11(16)14-7-9-18-13(3,4)19-10-8-15-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,14,16)(H,15,17)
InChIKeyOGEUUMQFAMQNFK-UHFFFAOYSA-N
XLogP0.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide (CID 15608862) is N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide is C=CC(=O)NCCOC(C)(C)OCCNC(=O)C=C.
What is the InChIKey of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide?
The InChIKey is OGEUUMQFAMQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-11(16)14-7-9-18-13(3,4)19-10-8-15-12(17)6-2/h5-6H,1-2,7-10H2,3-4H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide?
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 0.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propan-2-yloxy]ethyl]prop-2-enamide is sourced from PubChem (CID 15608862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).