N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

C18H22F6N2O2 — CID 45254043

IUPACN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C
InChIInChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27)
InChIKeyIPXCVXXZEZCJRH-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.21
Rot. Bonds4

About N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide

N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (PubChem CID 45254043) has the molecular formula C18H22F6N2O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
PubChem CID45254043
Molecular FormulaC18H22F6N2O2
Molecular Weight412.37 g/mol
Exact Mass412.16
IUPAC NameN-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILESCc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C
InChIInChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27)
InChIKeyIPXCVXXZEZCJRH-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 740682
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylpropanamide
CID 771697
N-(3,5-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 771505
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956
1-ethyl-N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
CID 90407968
1-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxopyridin-4-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 90460339
3-(2,6-dimethylmorpholin-4-yl)-N-(3,5-dimethylphenyl)propanamide
CID 647735
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(4-morpholinyl)acetamide
CID 832498
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 891690

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide (CID 45254043) is N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide is Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C.
What is the InChIKey of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is IPXCVXXZEZCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27).
What are the key properties of N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide?
N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 412.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-5-(morpholin-4-ylmethyl)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 45254043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).