N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide

C16H21F3N2O2 — CID 75502042

IUPACN-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
SMILESCCNC(=O)CCN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c1-2-20-15(22)7-8-21-9-10-23-14(11-21)12-3-5-13(6-4-12)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H,20,22)
InChIKeyCTYIJTNTLCCWNT-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.60
Rot. Bonds5

About N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide

N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide (PubChem CID 75502042) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
PubChem CID75502042
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
SMILESCCNC(=O)CCN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H21F3N2O2/c1-2-20-15(22)7-8-21-9-10-23-14(11-21)12-3-5-13(6-4-12)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H,20,22)
InChIKeyCTYIJTNTLCCWNT-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
3-[2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67033149
3-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51001912
N-[(4-methylphenyl)methyl]-3-[(2R)-2-(trifluoromethyl)morpholin-4-yl]propanamide
CID 95554541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide?
The IUPAC name of N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide (CID 75502042) is N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide?
The canonical SMILES for N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide is CCNC(=O)CCN1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide?
The InChIKey is CTYIJTNTLCCWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-20-15(22)7-8-21-9-10-23-14(11-21)12-3-5-13(6-4-12)16(17,18)19/h3-6,14H,2,7-11H2,1H3,(H,20,22).
What are the key properties of N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide?
N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide has a molecular weight of 330.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide is sourced from PubChem (CID 75502042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).