(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C15H18F3N3O3 — CID 124844817

IUPAC(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1COCCN1CC(F)(F)F)Nc1ccccc1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-21-6-7-24-9-12(21)14(23)19-8-13(22)20-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyGWWJGBGQFIQOHX-GFCCVEGCSA-N
MW345.32 g/mol
LogP1.00
Rot. Bonds5

About (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124844817) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124844817
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(CNC(=O)[C@H]1COCCN1CC(F)(F)F)Nc1ccccc1
InChIInChI=1S/C15H18F3N3O3/c16-15(17,18)10-21-6-7-24-9-12(21)14(23)19-8-13(22)20-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyGWWJGBGQFIQOHX-GFCCVEGCSA-N
XLogP1.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
CID 124618160
N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126810442
N-(1-oxo-2H-isoquinolin-5-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 154794120
2-(morpholin-4-ylamino)-N-phenylacetamide
CID 83021933
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
4-[2-(4-aminoanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097786
N-ethyl-4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83101765
(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124854101
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-[(3S)-4-(2,2,2-trifluoroethyl)morpholin-3-yl]methanone
CID 59285794

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124844817) is (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is O=C(CNC(=O)[C@H]1COCCN1CC(F)(F)F)Nc1ccccc1.
What is the InChIKey of (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is GWWJGBGQFIQOHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c16-15(17,18)10-21-6-7-24-9-12(21)14(23)19-8-13(22)20-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,19,23)(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124844817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).