N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide

C11H21NO3 — CID 87450207

IUPACN-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)OC(CCC)OCC
InChIInChI=1S/C11H21NO3/c1-5-8-11(14-7-3)15-9(4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyBCHGLHXJLZFVNZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.81
Rot. Bonds8

About N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide

N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide (PubChem CID 87450207) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide
PubChem CID87450207
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)OC(CCC)OCC
InChIInChI=1S/C11H21NO3/c1-5-8-11(14-7-3)15-9(4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyBCHGLHXJLZFVNZ-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide (CID 87450207) is N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide is C=CC(=O)NC(C)OC(CCC)OCC.
What is the InChIKey of N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide?
The InChIKey is BCHGLHXJLZFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-8-11(14-7-3)15-9(4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13).
What are the key properties of N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide?
N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethoxybutoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 87450207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).