(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide

C15H17F3N2O3 — CID 95313146

IUPAC(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11(10-4-2-1-3-5-10)8-13(21)20-6-7-23-12(9-20)14(19)22/h1-5,11-12H,6-9H2,(H2,19,22)/t11-,12-/m0/s1
InChIKeyAXLADLIKVSDPKT-RYUDHWBXSA-N
MW330.31 g/mol
LogP1.44
Rot. Bonds4

About (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide

(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide (PubChem CID 95313146) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
PubChem CID95313146
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)11(10-4-2-1-3-5-10)8-13(21)20-6-7-23-12(9-20)14(19)22/h1-5,11-12H,6-9H2,(H2,19,22)/t11-,12-/m0/s1
InChIKeyAXLADLIKVSDPKT-RYUDHWBXSA-N
XLogP1.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
(2S)-4-[(3S)-3-[2-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 124688478
4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119239777
4,4,4-trifluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119540328
4-(3-acetamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239507
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
CID 95174211
4,4,4-trifluoro-3-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995820
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
4-[3-[4-(trifluoromethyl)phenyl]butanoyl]morpholine-2-carboxylic acid
CID 119240108

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide (CID 95313146) is (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide is NC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1.
What is the InChIKey of (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide?
The InChIKey is AXLADLIKVSDPKT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)11(10-4-2-1-3-5-10)8-13(21)20-6-7-23-12(9-20)14(19)22/h1-5,11-12H,6-9H2,(H2,19,22)/t11-,12-/m0/s1.
What are the key properties of (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide?
(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 95313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).