N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C20H26F3NO3 — CID 25016990

IUPACN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC1(O)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C20H26F3NO3/c1-18(26)11-9-16(10-12-18)24(15-7-8-15)17(25)13-3-5-14(6-4-13)19(2,27)20(21,22)23/h3-6,15-16,26-27H,7-12H2,1-2H3/t16?,18?,19-/m0/s1
InChIKeyFSGJUFBTMKSWJD-KVZIAJEVSA-N
MW385.43 g/mol
LogP3.75
Rot. Bonds4

About N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 25016990) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID25016990
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC NameN-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESCC1(O)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1
InChIInChI=1S/C20H26F3NO3/c1-18(26)11-9-16(10-12-18)24(15-7-8-15)17(25)13-3-5-14(6-4-13)19(2,27)20(21,22)23/h3-6,15-16,26-27H,7-12H2,1-2H3/t16?,18?,19-/m0/s1
InChIKeyFSGJUFBTMKSWJD-KVZIAJEVSA-N
XLogP3.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 25016990) is N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is CC1(O)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is FSGJUFBTMKSWJD-KVZIAJEVSA-N. The full InChI is InChI=1S/C20H26F3NO3/c1-18(26)11-9-16(10-12-18)24(15-7-8-15)17(25)13-3-5-14(6-4-13)19(2,27)20(21,22)23/h3-6,15-16,26-27H,7-12H2,1-2H3/t16?,18?,19-/m0/s1.
What are the key properties of N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 385.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 25016990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).