N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide

C20H25NO3 — CID 46885227

IUPACN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-20(22)21-13-7-10-17-14-18(23-2)11-12-19(17)24-15-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3,(H,21,22)
InChIKeyVKYABHOVHZOAEX-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.73
Rot. Bonds9

About N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide

N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide (PubChem CID 46885227) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide
PubChem CID46885227
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C20H25NO3/c1-3-20(22)21-13-7-10-17-14-18(23-2)11-12-19(17)24-15-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3,(H,21,22)
InChIKeyVKYABHOVHZOAEX-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide?
The IUPAC name of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide (CID 46885227) is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide.
What is the SMILES notation for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide?
The canonical SMILES for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide is CCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide?
The InChIKey is VKYABHOVHZOAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-20(22)21-13-7-10-17-14-18(23-2)11-12-19(17)24-15-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide?
N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]propanamide is sourced from PubChem (CID 46885227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).