N,N'-bis(4-phenoxyphenyl)propanediamide

C27H22N2O4 — CID 2392247

IUPACN,N'-bis(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22N2O4/c30-26(28-20-11-15-24(16-12-20)32-22-7-3-1-4-8-22)19-27(31)29-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKHHPHLOXCANWFJ-UHFFFAOYSA-N
MW438.48 g/mol
LogP6.24
Rot. Bonds8

About N,N'-bis(4-phenoxyphenyl)propanediamide

N,N'-bis(4-phenoxyphenyl)propanediamide (PubChem CID 2392247) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N,N'-bis(4-phenoxyphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(4-phenoxyphenyl)propanediamide
PubChem CID2392247
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN,N'-bis(4-phenoxyphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H22N2O4/c30-26(28-20-11-15-24(16-12-20)32-22-7-3-1-4-8-22)19-27(31)29-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyKHHPHLOXCANWFJ-UHFFFAOYSA-N
XLogP6.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-phenoxyphenyl)propanediamide?
The IUPAC name of N,N'-bis(4-phenoxyphenyl)propanediamide (CID 2392247) is N,N'-bis(4-phenoxyphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(4-phenoxyphenyl)propanediamide?
The canonical SMILES for N,N'-bis(4-phenoxyphenyl)propanediamide is O=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N,N'-bis(4-phenoxyphenyl)propanediamide?
The InChIKey is KHHPHLOXCANWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c30-26(28-20-11-15-24(16-12-20)32-22-7-3-1-4-8-22)19-27(31)29-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N,N'-bis(4-phenoxyphenyl)propanediamide?
N,N'-bis(4-phenoxyphenyl)propanediamide has a molecular weight of 438.48 g/mol, XLogP of 6.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-phenoxyphenyl)propanediamide is sourced from PubChem (CID 2392247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).