3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide

C24H25NO3 — CID 3058598

IUPAC3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide
SMILESCOc1ccc(C(CCc2ccc(Oc3ccccc3)cc2)CC(N)=O)cc1
InChIInChI=1S/C24H25NO3/c1-27-21-15-11-19(12-16-21)20(17-24(25)26)10-7-18-8-13-23(14-9-18)28-22-5-3-2-4-6-22/h2-6,8-9,11-16,20H,7,10,17H2,1H3,(H2,25,26)
InChIKeySVYWEMHWAQXEPV-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.08
Rot. Bonds9

About 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide

3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide (PubChem CID 3058598) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide
PubChem CID3058598
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide
SMILESCOc1ccc(C(CCc2ccc(Oc3ccccc3)cc2)CC(N)=O)cc1
InChIInChI=1S/C24H25NO3/c1-27-21-15-11-19(12-16-21)20(17-24(25)26)10-7-18-8-13-23(14-9-18)28-22-5-3-2-4-6-22/h2-6,8-9,11-16,20H,7,10,17H2,1H3,(H2,25,26)
InChIKeySVYWEMHWAQXEPV-UHFFFAOYSA-N
XLogP5.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide?
The IUPAC name of 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide (CID 3058598) is 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide is COc1ccc(C(CCc2ccc(Oc3ccccc3)cc2)CC(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide?
The InChIKey is SVYWEMHWAQXEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-21-15-11-19(12-16-21)20(17-24(25)26)10-7-18-8-13-23(14-9-18)28-22-5-3-2-4-6-22/h2-6,8-9,11-16,20H,7,10,17H2,1H3,(H2,25,26).
What are the key properties of 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide?
3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide has a molecular weight of 375.47 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 3058598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).