N-cyclohexyl-4-(4-pentylphenyl)benzamide

C24H31NO — CID 3315464

IUPACN-cyclohexyl-4-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31NO/c1-2-3-5-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)24(26)25-23-9-6-4-7-10-23/h11-18,23H,2-10H2,1H3,(H,25,26)
InChIKeyMFEWVRYCZNYNOF-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.15
Rot. Bonds7

About N-cyclohexyl-4-(4-pentylphenyl)benzamide

N-cyclohexyl-4-(4-pentylphenyl)benzamide (PubChem CID 3315464) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-pentylphenyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-pentylphenyl)benzamide
PubChem CID3315464
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-cyclohexyl-4-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31NO/c1-2-3-5-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)24(26)25-23-9-6-4-7-10-23/h11-18,23H,2-10H2,1H3,(H,25,26)
InChIKeyMFEWVRYCZNYNOF-UHFFFAOYSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.15
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

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CID 60674795
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N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-cyclooctyl-4-methylbenzamide
CID 3995245
3-[(4-decylbenzoyl)amino]pyrrolidine-1-carboxylic acid
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4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-(4-butylphenyl)-4-[2-(cyclohexylamino)pyrimidin-5-yl]benzamide
CID 53108619
4-butyl-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103860544
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-pentylphenyl)benzamide?
The IUPAC name of N-cyclohexyl-4-(4-pentylphenyl)benzamide (CID 3315464) is N-cyclohexyl-4-(4-pentylphenyl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(4-pentylphenyl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(4-pentylphenyl)benzamide is CCCCCc1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-pentylphenyl)benzamide?
The InChIKey is MFEWVRYCZNYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-3-5-8-19-11-13-20(14-12-19)21-15-17-22(18-16-21)24(26)25-23-9-6-4-7-10-23/h11-18,23H,2-10H2,1H3,(H,25,26).
What are the key properties of N-cyclohexyl-4-(4-pentylphenyl)benzamide?
N-cyclohexyl-4-(4-pentylphenyl)benzamide has a molecular weight of 349.52 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-pentylphenyl)benzamide is sourced from PubChem (CID 3315464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).