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

C21H27NO3 — CID 71508234

IUPACN-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1
InChIInChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)
InChIKeyGJRIGACGWLYZAO-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.75
Rot. Bonds9

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

N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide (PubChem CID 71508234) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide
PubChem CID71508234
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide
SMILESCCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1
InChIInChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)
InChIKeyGJRIGACGWLYZAO-UHFFFAOYSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.75
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

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N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide
CID 9881626
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
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CID 3071635

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide?
The IUPAC name of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide (CID 71508234) is N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide.
What is the SMILES notation for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide?
The canonical SMILES for N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide is CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1.
What is the InChIKey of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide?
The InChIKey is GJRIGACGWLYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide?
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.75, 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-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide is sourced from PubChem (CID 71508234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).