(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide

C25H25NO5 — CID 9201107

IUPAC(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Oc1ccc(C=O)cc1OCC)c1ccccc1
InChIInChI=1S/C25H25NO5/c1-3-29-21-13-9-8-12-20(21)26-25(28)24(19-10-6-5-7-11-19)31-22-15-14-18(17-27)16-23(22)30-4-2/h5-17,24H,3-4H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyILKLXYBFJDMQHU-XMMPIXPASA-N
MW419.48 g/mol
LogP5.06
Rot. Bonds10

About (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide

(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 9201107) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID9201107
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Oc1ccc(C=O)cc1OCC)c1ccccc1
InChIInChI=1S/C25H25NO5/c1-3-29-21-13-9-8-12-20(21)26-25(28)24(19-10-6-5-7-11-19)31-22-15-14-18(17-27)16-23(22)30-4-2/h5-17,24H,3-4H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyILKLXYBFJDMQHU-XMMPIXPASA-N
XLogP5.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-formylbenzoate
CID 2504162
(2S)-N-(2-ethoxyphenyl)-2-naphthalen-1-yloxy-2-phenylacetamide
CID 7506073
4-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethoxy]benzamide
CID 8607962
(2R)-2-(4-cyanophenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7505945
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-(2-ethoxy-4-formylphenoxy)butanoic acid
CID 64662356
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 9201107) is (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](Oc1ccc(C=O)cc1OCC)c1ccccc1.
What is the InChIKey of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is ILKLXYBFJDMQHU-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25NO5/c1-3-29-21-13-9-8-12-20(21)26-25(28)24(19-10-6-5-7-11-19)31-22-15-14-18(17-27)16-23(22)30-4-2/h5-17,24H,3-4H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide?
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 419.48 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 9201107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).