2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide

C15H17NO4 — CID 43366462

IUPAC2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C=O)cccc1OCC
InChIInChI=1S/C15H17NO4/c1-4-9-16-15(18)11(3)20-14-12(10-17)7-6-8-13(14)19-5-2/h1,6-8,10-11H,5,9H2,2-3H3,(H,16,18)
InChIKeyQEDSCQRABDQOMI-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.41
Rot. Bonds7

About 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide

2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide (PubChem CID 43366462) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
PubChem CID43366462
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1c(C=O)cccc1OCC
InChIInChI=1S/C15H17NO4/c1-4-9-16-15(18)11(3)20-14-12(10-17)7-6-8-13(14)19-5-2/h1,6-8,10-11H,5,9H2,2-3H3,(H,16,18)
InChIKeyQEDSCQRABDQOMI-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
3-(2-ethoxy-6-formylphenoxy)butanamide
CID 123750049
2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43515928
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 107738224
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 112608452

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide (CID 43366462) is 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1c(C=O)cccc1OCC.
What is the InChIKey of 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide?
The InChIKey is QEDSCQRABDQOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-9-16-15(18)11(3)20-14-12(10-17)7-6-8-13(14)19-5-2/h1,6-8,10-11H,5,9H2,2-3H3,(H,16,18).
What are the key properties of 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide?
2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide has a molecular weight of 275.30 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43366462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).