4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide

C19H29NO2 — CID 56764297

IUPAC4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-11-9-15(10-12-16)18(22)20-13-17(21)14-7-5-4-6-8-14/h9-12,14,17,21H,4-8,13H2,1-3H3,(H,20,22)
InChIKeyLXUHOSBHVZQHIT-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.66
Rot. Bonds4

About 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide

4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide (PubChem CID 56764297) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
PubChem CID56764297
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-11-9-15(10-12-16)18(22)20-13-17(21)14-7-5-4-6-8-14/h9-12,14,17,21H,4-8,13H2,1-3H3,(H,20,22)
InChIKeyLXUHOSBHVZQHIT-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide (CID 56764297) is 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCC(O)C2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
The InChIKey is LXUHOSBHVZQHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,3)16-11-9-15(10-12-16)18(22)20-13-17(21)14-7-5-4-6-8-14/h9-12,14,17,21H,4-8,13H2,1-3H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide?
4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclohexyl-2-hydroxyethyl)benzamide is sourced from PubChem (CID 56764297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).