N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide

C18H23F3N2O3 — CID 51125754

IUPACN-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O3/c1-13(14-2-4-15(5-3-14)18(19,20)21)12-16(24)22-7-6-17(25)23-8-10-26-11-9-23/h2-5,13H,6-12H2,1H3,(H,22,24)
InChIKeyOVZKLGRCBRAURW-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.56
Rot. Bonds6

About N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide

N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 51125754) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID51125754
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC NameN-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O3/c1-13(14-2-4-15(5-3-14)18(19,20)21)12-16(24)22-7-6-17(25)23-8-10-26-11-9-23/h2-5,13H,6-12H2,1H3,(H,22,24)
InChIKeyOVZKLGRCBRAURW-UHFFFAOYSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
N-(3-piperazin-1-ylpropyl)-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119392989
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 47059248
tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
2-[(2S)-4-[(3S)-3-[4-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124688467
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
N-(2-piperidin-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119557662

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide (CID 51125754) is N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCCC(=O)N1CCOCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is OVZKLGRCBRAURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-13(14-2-4-15(5-3-14)18(19,20)21)12-16(24)22-7-6-17(25)23-8-10-26-11-9-23/h2-5,13H,6-12H2,1H3,(H,22,24).
What are the key properties of N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 372.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 51125754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).