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

C21H27NO3 — CID 46885228

IUPACN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-3-8-21(23)22-14-7-11-18-15-19(24-2)12-13-20(18)25-16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,3,7-8,11,14,16H2,1-2H3,(H,22,23)
InChIKeyYFQXLSIRGZVJOZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.12
Rot. Bonds10

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

N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide (PubChem CID 46885228) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide
PubChem CID46885228
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide
SMILESCCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-3-8-21(23)22-14-7-11-18-15-19(24-2)12-13-20(18)25-16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,3,7-8,11,14,16H2,1-2H3,(H,22,23)
InChIKeyYFQXLSIRGZVJOZ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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]butanamide?
The IUPAC name of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide (CID 46885228) is N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide.
What is the SMILES notation for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide?
The canonical SMILES for N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide is CCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide?
The InChIKey is YFQXLSIRGZVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-8-21(23)22-14-7-11-18-15-19(24-2)12-13-20(18)25-16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,3,7-8,11,14,16H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide?
N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.12, 10 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]butanamide is sourced from PubChem (CID 46885228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).