(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide

C20H23NO4 — CID 8009470

IUPAC(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C20H23NO4/c1-4-15-6-9-17(10-7-15)21-20(23)14(3)25-18-11-8-16(13-22)12-19(18)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyJKDXEMDBPUCLNT-AWEZNQCLSA-N
MW341.41 g/mol
LogP3.87
Rot. Bonds8

About (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide

(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide (PubChem CID 8009470) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
PubChem CID8009470
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C20H23NO4/c1-4-15-6-9-17(10-7-15)21-20(23)14(3)25-18-11-8-16(13-22)12-19(18)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyJKDXEMDBPUCLNT-AWEZNQCLSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
CID 23409645
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416046
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
N-(4-chlorophenyl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1156887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide (CID 8009470) is (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide is CCOc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide?
The InChIKey is JKDXEMDBPUCLNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-15-6-9-17(10-7-15)21-20(23)14(3)25-18-11-8-16(13-22)12-19(18)24-5-2/h6-14H,4-5H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide?
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 8009470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).