N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide

C16H21F3N2O4 — CID 52536756

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc([C@@H](CNC(=O)C(F)(F)F)N2CCOCC2)cc1OC
InChIInChI=1S/C16H21F3N2O4/c1-23-13-4-3-11(9-14(13)24-2)12(21-5-7-25-8-6-21)10-20-15(22)16(17,18)19/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVCDRIZIWLGPENS-GFCCVEGCSA-N
MW362.35 g/mol
LogP1.76
Rot. Bonds6

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide (PubChem CID 52536756) has the molecular formula C16H21F3N2O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
PubChem CID52536756
Molecular FormulaC16H21F3N2O4
Molecular Weight362.35 g/mol
Exact Mass362.15
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc([C@@H](CNC(=O)C(F)(F)F)N2CCOCC2)cc1OC
InChIInChI=1S/C16H21F3N2O4/c1-23-13-4-3-11(9-14(13)24-2)12(21-5-7-25-8-6-21)10-20-15(22)16(17,18)19/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVCDRIZIWLGPENS-GFCCVEGCSA-N
XLogP1.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 29360681
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide (CID 52536756) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide is COc1ccc([C@@H](CNC(=O)C(F)(F)F)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VCDRIZIWLGPENS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F3N2O4/c1-23-13-4-3-11(9-14(13)24-2)12(21-5-7-25-8-6-21)10-20-15(22)16(17,18)19/h3-4,9,12H,5-8,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide has a molecular weight of 362.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 52536756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).