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

C21H29F3N2O2 — CID 45484669

IUPAC2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1c(CN2CCOCC2)cc(NC(=O)C2CCCCC2C)cc1C(F)(F)F
InChIInChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27)
InChIKeyFBKXSVQEAVSDMU-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.61
Rot. Bonds4

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

2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 45484669) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID45484669
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCc1c(CN2CCOCC2)cc(NC(=O)C2CCCCC2C)cc1C(F)(F)F
InChIInChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27)
InChIKeyFBKXSVQEAVSDMU-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 45484669) is 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is Cc1c(CN2CCOCC2)cc(NC(=O)C2CCCCC2C)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is FBKXSVQEAVSDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O2/c1-14-5-3-4-6-18(14)20(27)25-17-11-16(13-26-7-9-28-10-8-26)15(2)19(12-17)21(22,23)24/h11-12,14,18H,3-10,13H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 45484669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).