(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide

C22H19NO3 — CID 7762821

IUPAC(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO3/c1-16(26-21-14-8-5-11-18(21)15-24)22(25)23-20-13-7-6-12-19(20)17-9-3-2-4-10-17/h2-16H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyWPOWZRTXBRJASK-INIZCTEOSA-N
MW345.40 g/mol
LogP4.57
Rot. Bonds6

About (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide

(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide (PubChem CID 7762821) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
PubChem CID7762821
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
SMILESC[C@H](Oc1ccccc1C=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO3/c1-16(26-21-14-8-5-11-18(21)15-24)22(25)23-20-13-7-6-12-19(20)17-9-3-2-4-10-17/h2-16H,1H3,(H,23,25)/t16-/m0/s1
InChIKeyWPOWZRTXBRJASK-INIZCTEOSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608700
2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
CID 41131403
(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
(2R)-N-(2,5-dichlorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762826
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
(2R)-2-(3,5-dichlorophenoxy)-N-(2-phenylphenyl)propanamide
CID 7467157
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
CID 7762913
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-but-2-enoate
CID 7698882
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide (CID 7762821) is (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide is C[C@H](Oc1ccccc1C=O)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide?
The InChIKey is WPOWZRTXBRJASK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16(26-21-14-8-5-11-18(21)15-24)22(25)23-20-13-7-6-12-19(20)17-9-3-2-4-10-17/h2-16H,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide?
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 7762821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).