N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C19H26F3NO3 — CID 55717357

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO3/c1-14-4-2-3-5-17(14)26-11-10-23-18(24)16-8-6-15(7-9-16)12-25-13-19(20,21)22/h6-9,14,17H,2-5,10-13H2,1H3,(H,23,24)
InChIKeyMSSZSVYQGAWJEU-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.09
Rot. Bonds8

About N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 55717357) has the molecular formula C19H26F3NO3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID55717357
Molecular FormulaC19H26F3NO3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO3/c1-14-4-2-3-5-17(14)26-11-10-23-18(24)16-8-6-15(7-9-16)12-25-13-19(20,21)22/h6-9,14,17H,2-5,10-13H2,1H3,(H,23,24)
InChIKeyMSSZSVYQGAWJEU-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47036325
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
CID 51115806
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,3-dioxoisoindole-5-carboxamide
CID 95593788
6-(dimethylamino)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyridine-3-carboxamide
CID 94131649
N-[2-(4-methoxyphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30094922
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55724110
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95157228
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 55717357) is N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CC1CCCCC1OCCNC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is MSSZSVYQGAWJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO3/c1-14-4-2-3-5-17(14)26-11-10-23-18(24)16-8-6-15(7-9-16)12-25-13-19(20,21)22/h6-9,14,17H,2-5,10-13H2,1H3,(H,23,24).
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 55717357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).