4-(4-propylcyclohexyl)benzamide

C16H23NO — CID 759247

IUPAC4-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H2,17,18)
InChIKeyVKUDCUHZKKXBSK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.86
Rot. Bonds4

About 4-(4-propylcyclohexyl)benzamide

4-(4-propylcyclohexyl)benzamide (PubChem CID 759247) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)benzamide
PubChem CID759247
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C16H23NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H2,17,18)
InChIKeyVKUDCUHZKKXBSK-UHFFFAOYSA-N
XLogP3.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)benzamide?
The IUPAC name of 4-(4-propylcyclohexyl)benzamide (CID 759247) is 4-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for 4-(4-propylcyclohexyl)benzamide?
The canonical SMILES for 4-(4-propylcyclohexyl)benzamide is CCCC1CCC(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)benzamide?
The InChIKey is VKUDCUHZKKXBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13H,2-7H2,1H3,(H2,17,18).
What are the key properties of 4-(4-propylcyclohexyl)benzamide?
4-(4-propylcyclohexyl)benzamide has a molecular weight of 245.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 759247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).