(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide

C27H34F3N3O4 — CID 11168385

IUPAC(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
SMILESCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1
InChIKeyCHTFNMSXYMATRD-YADHBBJMSA-N
MW521.58 g/mol
LogP4.39
Rot. Bonds12

About (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide

(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide (PubChem CID 11168385) has the molecular formula C27H34F3N3O4 and a molecular weight of 521.58 g/mol. Its IUPAC name is (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
PubChem CID11168385
Molecular FormulaC27H34F3N3O4
Molecular Weight521.58 g/mol
Exact Mass521.25
IUPAC Name(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
SMILESCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1
InChIKeyCHTFNMSXYMATRD-YADHBBJMSA-N
XLogP4.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-Dimethylethyl)-4-(2-methoxyphenyl)-alpha-phenyl-1-piperazinepropanamide
CID 115111
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 6604840
Succinamide peptidomimetic, 12
CID 11156785
Succinamide peptidomimetic, 15
CID 11157631
Succinamide peptidomimetic, 16
CID 11157632
Succinamide peptidomimetic, 27
CID 11168613
Succinamide peptidomimetic, 32
CID 11180007
Succinamide peptidomimetic, 19
CID 11191512
Succinamide peptidomimetic, 34
CID 11203484
Succinamide peptidomimetic, 9
CID 11225780
Succinamide peptidomimetic, 33
CID 11238059
Succinamide peptidomimetic, 22
CID 11250282

Frequently Asked Questions

What is the IUPAC name of (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide?
The IUPAC name of (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide (CID 11168385) is (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide.
What is the SMILES notation for (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide?
The canonical SMILES for (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide is CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1.
What is the InChIKey of (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide?
The InChIKey is CHTFNMSXYMATRD-YADHBBJMSA-N. The full InChI is InChI=1S/C27H34F3N3O4/c1-2-22(19-31-23-10-12-24(13-11-23)37-27(28,29)30)32-26(35)21(9-8-20-6-4-3-5-7-20)18-25(34)33-14-16-36-17-15-33/h3-7,10-13,21-22,31H,2,8-9,14-19H2,1H3,(H,32,35)/t21-,22+/m1/s1.
What are the key properties of (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide?
(2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide has a molecular weight of 521.58 g/mol, XLogP of 4.39, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-morpholin-4-yl-4-oxo-2-(2-phenylethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide is sourced from PubChem (CID 11168385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).