2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide

C15H17NO4 — CID 43112291

IUPAC2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C=O)cc1OCC
InChIInChI=1S/C15H17NO4/c1-4-8-16-15(18)11(3)20-13-7-6-12(10-17)9-14(13)19-5-2/h1,6-7,9-11H,5,8H2,2-3H3,(H,16,18)
InChIKeyIPVRAXUNWYLNHW-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.41
Rot. Bonds7

About 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide

2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide (PubChem CID 43112291) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
PubChem CID43112291
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(C=O)cc1OCC
InChIInChI=1S/C15H17NO4/c1-4-8-16-15(18)11(3)20-13-7-6-12(10-17)9-14(13)19-5-2/h1,6-7,9-11H,5,8H2,2-3H3,(H,16,18)
InChIKeyIPVRAXUNWYLNHW-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

(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
2-(4-formyl-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 43244160
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
2-(2-ethoxy-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43366462
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
2-(2-ethoxy-4-formylphenoxy)butanoic acid
CID 64662356
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide (CID 43112291) is 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(C=O)cc1OCC.
What is the InChIKey of 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide?
The InChIKey is IPVRAXUNWYLNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-8-16-15(18)11(3)20-13-7-6-12(10-17)9-14(13)19-5-2/h1,6-7,9-11H,5,8H2,2-3H3,(H,16,18).
What are the key properties of 2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide?
2-(2-ethoxy-4-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-4-formylphenoxy)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43112291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).