N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C15H19F3N2O3 — CID 56878321

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O3/c1-22-12-4-2-11(3-5-12)6-7-19-14(21)20-8-9-23-13(10-20)15(16,17)18/h2-5,13H,6-10H2,1H3,(H,19,21)
InChIKeyWTRHHONECMSDLO-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 56878321) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID56878321
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCOC(C(F)(F)F)C2)cc1
InChIInChI=1S/C15H19F3N2O3/c1-22-12-4-2-11(3-5-12)6-7-19-14(21)20-8-9-23-13(10-20)15(16,17)18/h2-5,13H,6-10H2,1H3,(H,19,21)
InChIKeyWTRHHONECMSDLO-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
N-[2-[4-[2-(trifluoromethyl)morpholine-4-carbonyl]phenoxy]ethyl]acetamide
CID 56880091
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251081
(3S)-1-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94109320
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 56878321) is N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide is COc1ccc(CCNC(=O)N2CCOC(C(F)(F)F)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is WTRHHONECMSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-22-12-4-2-11(3-5-12)6-7-19-14(21)20-8-9-23-13(10-20)15(16,17)18/h2-5,13H,6-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 56878321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).