N-(4-butylphenyl)-5-oxo-5-phenylpentanamide

C21H25NO2 — CID 108796131

IUPACN-(4-butylphenyl)-5-oxo-5-phenylpentanamide
SMILESCCCCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-3-8-17-13-15-19(16-14-17)22-21(24)12-7-11-20(23)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyZXVWDLMGVCCUDX-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.02
Rot. Bonds9

About N-(4-butylphenyl)-5-oxo-5-phenylpentanamide

N-(4-butylphenyl)-5-oxo-5-phenylpentanamide (PubChem CID 108796131) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-oxo-5-phenylpentanamide
PubChem CID108796131
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(4-butylphenyl)-5-oxo-5-phenylpentanamide
SMILESCCCCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-3-8-17-13-15-19(16-14-17)22-21(24)12-7-11-20(23)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyZXVWDLMGVCCUDX-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-(4-heptylphenyl)heptanamide
CID 101077737
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
4-[5-(4-benzamidophenyl)pentanoyl]-N-[4-(4-oxo-4-phenylbutyl)phenyl]benzamide
CID 123843128
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
2-[2-[[4-(4-butylphenyl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353072

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4-butylphenyl)-5-oxo-5-phenylpentanamide (CID 108796131) is N-(4-butylphenyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4-butylphenyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4-butylphenyl)-5-oxo-5-phenylpentanamide is CCCCc1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-oxo-5-phenylpentanamide?
The InChIKey is ZXVWDLMGVCCUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-3-8-17-13-15-19(16-14-17)22-21(24)12-7-11-20(23)18-9-5-4-6-10-18/h4-6,9-10,13-16H,2-3,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-5-oxo-5-phenylpentanamide?
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide has a molecular weight of 323.44 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108796131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).