1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide

C20H28F3NO3 — CID 175745100

IUPAC1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(O)(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C20H28F3NO3/c1-13(2)16-10-9-14(3)11-18(16,26)17(25)24-12-19(27,20(21,22)23)15-7-5-4-6-8-15/h4-8,13-14,16,26-27H,9-12H2,1-3H3,(H,24,25)
InChIKeyPYAZPTKAZPPUJY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds5

About 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide

1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 175745100) has the molecular formula C20H28F3NO3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID175745100
Molecular FormulaC20H28F3NO3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(O)(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)C1
InChIInChI=1S/C20H28F3NO3/c1-13(2)16-10-9-14(3)11-18(16,26)17(25)24-12-19(27,20(21,22)23)15-7-5-4-6-8-15/h4-8,13-14,16,26-27H,9-12H2,1-3H3,(H,24,25)
InChIKeyPYAZPTKAZPPUJY-UHFFFAOYSA-N
XLogP3.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide (CID 175745100) is 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide is CC1CCC(C(C)C)C(O)(C(=O)NCC(O)(c2ccccc2)C(F)(F)F)C1.
What is the InChIKey of 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is PYAZPTKAZPPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3NO3/c1-13(2)16-10-9-14(3)11-18(16,26)17(25)24-12-19(27,20(21,22)23)15-7-5-4-6-8-15/h4-8,13-14,16,26-27H,9-12H2,1-3H3,(H,24,25).
What are the key properties of 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide?
1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 175745100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).