N-(4-ethylphenyl)-4-pentylbenzamide

C20H25NO — CID 142206594

IUPACN-(4-ethylphenyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25NO/c1-3-5-6-7-17-8-12-18(13-9-17)20(22)21-19-14-10-16(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H,21,22)
InChIKeyNOUYURCXMBUYJC-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.23
Rot. Bonds7

About N-(4-ethylphenyl)-4-pentylbenzamide

N-(4-ethylphenyl)-4-pentylbenzamide (PubChem CID 142206594) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-pentylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-pentylbenzamide
PubChem CID142206594
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(4-ethylphenyl)-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H25NO/c1-3-5-6-7-17-8-12-18(13-9-17)20(22)21-19-14-10-16(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H,21,22)
InChIKeyNOUYURCXMBUYJC-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469
N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
CID 72568774
5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
CID 63524950

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-pentylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-4-pentylbenzamide (CID 142206594) is N-(4-ethylphenyl)-4-pentylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-pentylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-pentylbenzamide is CCCCCc1ccc(C(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-pentylbenzamide?
The InChIKey is NOUYURCXMBUYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-5-6-7-17-8-12-18(13-9-17)20(22)21-19-14-10-16(4-2)11-15-19/h8-15H,3-7H2,1-2H3,(H,21,22).
What are the key properties of N-(4-ethylphenyl)-4-pentylbenzamide?
N-(4-ethylphenyl)-4-pentylbenzamide has a molecular weight of 295.43 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-pentylbenzamide is sourced from PubChem (CID 142206594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).