2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C18H19NO3 — CID 7762724

IUPAC2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(15-7-3-2-4-8-15)11-19-18(21)13-22-17-10-6-5-9-16(17)12-20/h2-10,12,14H,11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeySHABWYZCERXKLZ-CQSZACIVSA-N
MW297.35 g/mol
LogP2.80
Rot. Bonds7

About 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7762724) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7762724
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(15-7-3-2-4-8-15)11-19-18(21)13-22-17-10-6-5-9-16(17)12-20/h2-10,12,14H,11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeySHABWYZCERXKLZ-CQSZACIVSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.80
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

2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
CID 78801691
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2-formylphenoxy)acetate
CID 8608468
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylpropyl)acetamide
CID 112605060
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 7762724) is 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)COc1ccccc1C=O)c1ccccc1.
What is the InChIKey of 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is SHABWYZCERXKLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(15-7-3-2-4-8-15)11-19-18(21)13-22-17-10-6-5-9-16(17)12-20/h2-10,12,14H,11,13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7762724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).