4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide

C41H38N2O4 — CID 123843128

IUPAC4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
SMILESO=C(CCCCc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(CCCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C41H38N2O4/c44-38(16-8-7-10-30-18-26-36(27-19-30)42-40(46)34-14-5-2-6-15-34)33-22-24-35(25-23-33)41(47)43-37-28-20-31(21-29-37)11-9-17-39(45)32-12-3-1-4-13-32/h1-6,12-15,18-29H,7-11,16-17H2,(H,42,46)(H,43,47)
InChIKeyQJQORIBGEAHGEX-UHFFFAOYSA-N
MW622.77 g/mol
LogP8.99
Rot. Bonds15

About 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide

4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide (PubChem CID 123843128) has the molecular formula C41H38N2O4 and a molecular weight of 622.77 g/mol. Its IUPAC name is 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
PubChem CID123843128
Molecular FormulaC41H38N2O4
Molecular Weight622.77 g/mol
Exact Mass622.28
IUPAC Name4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
SMILESO=C(CCCCc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(CCCC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C41H38N2O4/c44-38(16-8-7-10-30-18-26-36(27-19-30)42-40(46)34-14-5-2-6-15-34)33-22-24-35(25-23-33)41(47)43-37-28-20-31(21-29-37)11-9-17-39(45)32-12-3-1-4-13-32/h1-6,12-15,18-29H,7-11,16-17H2,(H,42,46)(H,43,47)
InChIKeyQJQORIBGEAHGEX-UHFFFAOYSA-N
XLogP8.99
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 58.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-4-(4-phenylbutanoyl)benzamide
CID 123756436
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
CID 18683979
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
1,7-bis(4-phenoxyphenyl)heptan-1-one
CID 130400108
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
1,15-diphenylpentadecane-1,15-dione
CID 159981687
N'-hydroxy-4-(4-phenylbutyl)benzohydrazide
CID 89470701

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide?
The IUPAC name of 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide (CID 123843128) is 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide.
What is the SMILES notation for 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide?
The canonical SMILES for 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide is O=C(CCCCc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(CCCC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide?
The InChIKey is QJQORIBGEAHGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N2O4/c44-38(16-8-7-10-30-18-26-36(27-19-30)42-40(46)34-14-5-2-6-15-34)33-22-24-35(25-23-33)41(47)43-37-28-20-31(21-29-37)11-9-17-39(45)32-12-3-1-4-13-32/h1-6,12-15,18-29H,7-11,16-17H2,(H,42,46)(H,43,47).
What are the key properties of 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide?
4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide has a molecular weight of 622.77 g/mol, XLogP of 8.99, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide is sourced from PubChem (CID 123843128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).