(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide

C23H34F3N3O4 — CID 23648363

IUPAC(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide
SMILESC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C
InChIInChI=1S/C23H34F3N3O4/c1-16(15-27-18-5-7-19(8-6-18)33-23(24,25)26)28-21(31)17(14-22(2,3)4)13-20(30)29-9-11-32-12-10-29/h5-8,16-17,27H,9-15H2,1-4H3,(H,28,31)/t16-,17-/m0/s1
InChIKeyAGNOSSPYAKPBTN-IRXDYDNUSA-N
MW473.54 g/mol
LogP3.80
Rot. Bonds9

About (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide

(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide (PubChem CID 23648363) has the molecular formula C23H34F3N3O4 and a molecular weight of 473.54 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide
PubChem CID23648363
Molecular FormulaC23H34F3N3O4
Molecular Weight473.54 g/mol
Exact Mass473.25
IUPAC Name(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide
SMILESC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C
InChIInChI=1S/C23H34F3N3O4/c1-16(15-27-18-5-7-19(8-6-18)33-23(24,25)26)28-21(31)17(14-22(2,3)4)13-20(30)29-9-11-32-12-10-29/h5-8,16-17,27H,9-15H2,1-4H3,(H,28,31)/t16-,17-/m0/s1
InChIKeyAGNOSSPYAKPBTN-IRXDYDNUSA-N
XLogP3.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide?
The IUPAC name of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide (CID 23648363) is (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide.
What is the SMILES notation for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide?
The canonical SMILES for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide is C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C.
What is the InChIKey of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide?
The InChIKey is AGNOSSPYAKPBTN-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H34F3N3O4/c1-16(15-27-18-5-7-19(8-6-18)33-23(24,25)26)28-21(31)17(14-22(2,3)4)13-20(30)29-9-11-32-12-10-29/h5-8,16-17,27H,9-15H2,1-4H3,(H,28,31)/t16-,17-/m0/s1.
What are the key properties of (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide?
(2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide has a molecular weight of 473.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]pentanamide is sourced from PubChem (CID 23648363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).