N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H22F3NO3 — CID 103877346

IUPACN-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-20-8-9(18)6-7-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyBYJZKZXUKUZQDT-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.87
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103877346) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103877346
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO3/c1-20-8-9(18)6-7-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyBYJZKZXUKUZQDT-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113497940
methyl 2-hydroxy-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate
CID 103879541
2-methyl-5-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid
CID 104682094
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103712516
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563
(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
CID 106247472
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
N-(4-iodobutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106846363
trans-(1R,2R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 124734215
3-methoxy-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152560
N-(6-iodohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107848446

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103877346) is N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is COCC(O)CCNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BYJZKZXUKUZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c1-20-8-9(18)6-7-17-12(19)10-4-2-3-5-11(10)13(14,15)16/h9-11,18H,2-8H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103877346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).