2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C20H23NO4 — CID 8634027

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C=O)c1
InChIInChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-20(23)14-25-19-11-10-18(24-2)12-17(19)13-22/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyWPVHGKDMLYAYRF-HNNXBMFYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds9

About 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 8634027) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID8634027
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C=O)c1
InChIInChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-20(23)14-25-19-11-10-18(24-2)12-17(19)13-22/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyWPVHGKDMLYAYRF-HNNXBMFYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
2-(2-formyl-4-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 8633989
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 8634027) is 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is COc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is WPVHGKDMLYAYRF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(8-9-16-6-4-3-5-7-16)21-20(23)14-25-19-11-10-18(24-2)12-17(19)13-22/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 8634027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).