N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C18H25F3N2O3 — CID 51953215

IUPACN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC[C@@H]1CN(CCCNC(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H25F3N2O3/c1-13-11-23(12-14(2)25-13)9-3-8-22-17(24)10-15-4-6-16(7-5-15)26-18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyREGWIKWHTDORLF-ZIAGYGMSSA-N
MW374.40 g/mol
LogP2.74
Rot. Bonds7

About N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 51953215) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID51953215
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC NameN-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC[C@@H]1CN(CCCNC(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C18H25F3N2O3/c1-13-11-23(12-14(2)25-13)9-3-8-22-17(24)10-15-4-6-16(7-5-15)26-18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyREGWIKWHTDORLF-ZIAGYGMSSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,2,4-triazol-1-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 47040841
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
4-tert-butyl-N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]benzamide
CID 55629039
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847903
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111871609
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide
CID 51725583
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
3-(2-aminophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]propanamide;dihydrochloride
CID 120612238

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 51953215) is N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is C[C@@H]1CN(CCCNC(=O)Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1.
What is the InChIKey of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is REGWIKWHTDORLF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-13-11-23(12-14(2)25-13)9-3-8-22-17(24)10-15-4-6-16(7-5-15)26-18(19,20)21/h4-7,13-14H,3,8-12H2,1-2H3,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 51953215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).