(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C15H19F3N2O3 — CID 124842240

IUPAC(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)[C@@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-20-6-7-23-9-12(20)14(22)19-8-13(21)11-4-2-1-3-5-11/h1-5,12-13,21H,6-10H2,(H,19,22)/t12-,13+/m0/s1
InChIKeyBXHDZUXOJVKPKU-QWHCGFSZSA-N
MW332.32 g/mol
LogP1.10
Rot. Bonds5

About (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124842240) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124842240
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(NC[C@@H](O)c1ccccc1)[C@@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)10-20-6-7-23-9-12(20)14(22)19-8-13(21)11-4-2-1-3-5-11/h1-5,12-13,21H,6-10H2,(H,19,22)/t12-,13+/m0/s1
InChIKeyBXHDZUXOJVKPKU-QWHCGFSZSA-N
XLogP1.10
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124844817
(3R)-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124726723
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
3-[3-(methylcarbamoyl)morpholin-4-yl]-2-phenylpropanoic acid
CID 83101373
4-(3-amino-2-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83098381
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
N-[2-[(5-bromo-1-methylpyrazole-3-carbonyl)amino]-4-methoxybutyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 167783138
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
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007
methyl 4-(3-amino-2-phenylpropyl)morpholine-3-carboxylate
CID 104774500

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124842240) is (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is O=C(NC[C@@H](O)c1ccccc1)[C@@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is BXHDZUXOJVKPKU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)10-20-6-7-23-9-12(20)14(22)19-8-13(21)11-4-2-1-3-5-11/h1-5,12-13,21H,6-10H2,(H,19,22)/t12-,13+/m0/s1.
What are the key properties of (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124842240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).