N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide

C13H25NO3 — CID 14008509

IUPACN-(4,4-diethoxybutyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCC(OCC)OCC
InChIInChI=1S/C13H25NO3/c1-5-12(15)14(6-2)11-9-10-13(16-7-3)17-8-4/h5,13H,1,6-11H2,2-4H3
InChIKeyFAHKHEYAJPYVAL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.20
Rot. Bonds10

About N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide

N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide (PubChem CID 14008509) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(4,4-diethoxybutyl)-N-ethylprop-2-enamide
PubChem CID14008509
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(4,4-diethoxybutyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCC(OCC)OCC
InChIInChI=1S/C13H25NO3/c1-5-12(15)14(6-2)11-9-10-13(16-7-3)17-8-4/h5,13H,1,6-11H2,2-4H3
InChIKeyFAHKHEYAJPYVAL-UHFFFAOYSA-N
XLogP2.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-(4,4-diethoxybutyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide (CID 14008509) is N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)CCCC(OCC)OCC.
What is the InChIKey of N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide?
The InChIKey is FAHKHEYAJPYVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-12(15)14(6-2)11-9-10-13(16-7-3)17-8-4/h5,13H,1,6-11H2,2-4H3.
What are the key properties of N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide?
N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diethoxybutyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 14008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).