N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H22F3NO2 — CID 112684964

IUPACN-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-2-7-17(8-9-18)12(19)10-5-3-4-6-11(10)13(14,15)16/h10-11,18H,2-9H2,1H3
InChIKeyRYMJBWLKCMUPNI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.59
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 112684964) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID112684964
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCN(CCO)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-2-7-17(8-9-18)12(19)10-5-3-4-6-11(10)13(14,15)16/h10-11,18H,2-9H2,1H3
InChIKeyRYMJBWLKCMUPNI-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107492620
N-(2-hydroxyethyl)-N-propylcyclopropanecarboxamide
CID 60670831
N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621885
N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621891
4-[2-hydroxyethyl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783137
N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102873908
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
2-amino-N-butyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62782225

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 112684964) is N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCCN(CCO)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is RYMJBWLKCMUPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-2-7-17(8-9-18)12(19)10-5-3-4-6-11(10)13(14,15)16/h10-11,18H,2-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112684964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).