3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide

C26H28N2O2 — CID 46468381

IUPAC3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-25(29)28-23-16-14-20(15-17-23)19(2)27-26(30)18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19,24H,3,18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZBGSKUGOKIAAIA-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.43
Rot. Bonds8

About 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide

3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide (PubChem CID 46468381) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
PubChem CID46468381
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O2/c1-3-25(29)28-23-16-14-20(15-17-23)19(2)27-26(30)18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19,24H,3,18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyZBGSKUGOKIAAIA-UHFFFAOYSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
N-[4-[1-[(2-hydroxyphenyl)methylamino]ethyl]phenyl]propanamide
CID 47091161
3-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 55657850
N-[4-[(2-hydroxy-2-phenylacetyl)amino]phenyl]propanamide
CID 110895297
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide (CID 46468381) is 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide is CCC(=O)Nc1ccc(C(C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide?
The InChIKey is ZBGSKUGOKIAAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-25(29)28-23-16-14-20(15-17-23)19(2)27-26(30)18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,19,24H,3,18H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide?
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide is sourced from PubChem (CID 46468381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).