4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide

C25H25N3O3 — CID 121062289

IUPAC4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-23(29)26-16-17-27-24(30)20-12-14-22(15-13-20)28-25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyXFIWBMGLOYOSFF-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.86
Rot. Bonds8

About 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide

4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide (PubChem CID 121062289) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
PubChem CID121062289
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-23(29)26-16-17-27-24(30)20-12-14-22(15-13-20)28-25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyXFIWBMGLOYOSFF-UHFFFAOYSA-N
XLogP3.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062307
4-benzamido-N-ethylbenzamide
CID 17153265
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-butyl-4-phenylbenzamide
CID 3637649
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The IUPAC name of 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide (CID 121062289) is 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The InChIKey is XFIWBMGLOYOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-23(29)26-16-17-27-24(30)20-12-14-22(15-13-20)28-25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 121062289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).