3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide

C19H23NO4 — CID 18111151

IUPAC3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
SMILESCOc1cc(CCC(=O)NCCOc2ccccc2)cc(OC)c1
InChIInChI=1S/C19H23NO4/c1-22-17-12-15(13-18(14-17)23-2)8-9-19(21)20-10-11-24-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3,(H,20,21)
InChIKeyBROPXOCRKGFIAQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds9

About 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide (PubChem CID 18111151) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
PubChem CID18111151
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
SMILESCOc1cc(CCC(=O)NCCOc2ccccc2)cc(OC)c1
InChIInChI=1S/C19H23NO4/c1-22-17-12-15(13-18(14-17)23-2)8-9-19(21)20-10-11-24-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3,(H,20,21)
InChIKeyBROPXOCRKGFIAQ-UHFFFAOYSA-N
XLogP2.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 18120342
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide (CID 18111151) is 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide is COc1cc(CCC(=O)NCCOc2ccccc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide?
The InChIKey is BROPXOCRKGFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-17-12-15(13-18(14-17)23-2)8-9-19(21)20-10-11-24-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 18111151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).