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

C21H27NO4 — CID 46865422

IUPACN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
InChIKeyFPWCECQCQIIXNN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.74
Rot. Bonds10

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

N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide (PubChem CID 46865422) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
PubChem CID46865422
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
InChIKeyFPWCECQCQIIXNN-UHFFFAOYSA-N
XLogP3.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.74
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide?
The IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide (CID 46865422) is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide.
What is the SMILES notation for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide?
The canonical SMILES for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide is CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1.
What is the InChIKey of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide?
The InChIKey is FPWCECQCQIIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide?
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]propyl]propanamide is sourced from PubChem (CID 46865422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).