3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

C21H27NO3 — CID 134039850

IUPAC3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCCOC(C)c2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-17(19-9-4-3-5-10-19)25-15-7-14-22-21(23)13-12-18-8-6-11-20(16-18)24-2/h3-6,8-11,16-17H,7,12-15H2,1-2H3,(H,22,23)
InChIKeyPUGYERLANBZINV-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.91
Rot. Bonds10

About 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (PubChem CID 134039850) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
PubChem CID134039850
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCCOC(C)c2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-17(19-9-4-3-5-10-19)25-15-7-14-22-21(23)13-12-18-8-6-11-20(16-18)24-2/h3-6,8-11,16-17H,7,12-15H2,1-2H3,(H,22,23)
InChIKeyPUGYERLANBZINV-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (CID 134039850) is 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is COc1cccc(CCC(=O)NCCCOC(C)c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The InChIKey is PUGYERLANBZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-17(19-9-4-3-5-10-19)25-15-7-14-22-21(23)13-12-18-8-6-11-20(16-18)24-2/h3-6,8-11,16-17H,7,12-15H2,1-2H3,(H,22,23).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 134039850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).