3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C20H27F3N2O2 — CID 162649021

IUPAC3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCCC1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1
InChIInChI=1S/C20H27F3N2O2/c1-2-14-4-3-5-15(12-14)19(26)24-17-13-16(20(21,22)23)6-7-18(17)25-8-10-27-11-9-25/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,26)
InChIKeyFNTASMQCSBYBLF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.70
Rot. Bonds4

About 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 162649021) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID162649021
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCCC1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1
InChIInChI=1S/C20H27F3N2O2/c1-2-14-4-3-5-15(12-14)19(26)24-17-13-16(20(21,22)23)6-7-18(17)25-8-10-27-11-9-25/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,26)
InChIKeyFNTASMQCSBYBLF-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oicr-9429
CID 91623360
N-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11014664
N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 90408889
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
(3R)-3-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-(morpholin-4-yl)-4-oxobutanamide
CID 11327594
(2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-(morpholin-4-yl)-4-oxobutanamide
CID 11396020
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
CID 2349022
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 730073
2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1310650

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 162649021) is 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is CCC1CCCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1.
What is the InChIKey of 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is FNTASMQCSBYBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-2-14-4-3-5-15(12-14)19(26)24-17-13-16(20(21,22)23)6-7-18(17)25-8-10-27-11-9-25/h6-7,13-15H,2-5,8-12H2,1H3,(H,24,26).
What are the key properties of 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 162649021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).