N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide

C21H25NO2 — CID 56764306

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c23-20(18-9-5-2-6-10-18)15-22-21(24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18,20,23H,2,5-6,9-10,15H2,(H,22,24)
InChIKeyAIEYWWIUENPJHW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.02
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide (PubChem CID 56764306) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide
PubChem CID56764306
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide
SMILESO=C(NCC(O)C1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c23-20(18-9-5-2-6-10-18)15-22-21(24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18,20,23H,2,5-6,9-10,15H2,(H,22,24)
InChIKeyAIEYWWIUENPJHW-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide (CID 56764306) is N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide is O=C(NCC(O)C1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide?
The InChIKey is AIEYWWIUENPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(18-9-5-2-6-10-18)15-22-21(24)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18,20,23H,2,5-6,9-10,15H2,(H,22,24).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-phenylbenzamide is sourced from PubChem (CID 56764306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).