4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide

C18H25F3N2O2 — CID 11631814

IUPAC4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide
SMILESCc1cc(N2CCOCC2)cc(C(F)(F)F)c1NC(=O)CCC(C)C
InChIInChI=1S/C18H25F3N2O2/c1-12(2)4-5-16(24)22-17-13(3)10-14(11-15(17)18(19,20)21)23-6-8-25-9-7-23/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyIEECUUTUWJFHCG-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.23
Rot. Bonds5

About 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide

4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide (PubChem CID 11631814) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide
PubChem CID11631814
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide
SMILESCc1cc(N2CCOCC2)cc(C(F)(F)F)c1NC(=O)CCC(C)C
InChIInChI=1S/C18H25F3N2O2/c1-12(2)4-5-16(24)22-17-13(3)10-14(11-15(17)18(19,20)21)23-6-8-25-9-7-23/h10-12H,4-9H2,1-3H3,(H,22,24)
InChIKeyIEECUUTUWJFHCG-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethyl-4-morpholin-4-ylphenyl)octanamide
CID 11508231
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
CID 86699744
2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide
CID 172824008
2-(3,4-difluorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11574057
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
2-(3-chlorophenyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11624654
1-(3-methylbutyl)-2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111069706
3,3-dimethyl-N-[4-methyl-6-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)-3-pyridinyl]butanamide
CID 176712061
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
CID 11660177
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379
1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55744650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide (CID 11631814) is 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide is Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1NC(=O)CCC(C)C.
What is the InChIKey of 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is IEECUUTUWJFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-12(2)4-5-16(24)22-17-13(3)10-14(11-15(17)18(19,20)21)23-6-8-25-9-7-23/h10-12H,4-9H2,1-3H3,(H,22,24).
What are the key properties of 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide?
4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 358.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 11631814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).