N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide

C23H27F3N4O4 — CID 23648405

IUPACN-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide
SMILESO=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C23H27F3N4O4/c24-23(25,26)34-19-8-6-18(7-9-19)27-10-11-28-21(31)20(16-17-4-2-1-3-5-17)29-22(32)30-12-14-33-15-13-30/h1-9,20,27H,10-16H2,(H,28,31)(H,29,32)/t20-/m0/s1
InChIKeyAPPKAZSWZRTNJZ-FQEVSTJZSA-N
MW480.49 g/mol
LogP2.77
Rot. Bonds9

About N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide (PubChem CID 23648405) has the molecular formula C23H27F3N4O4 and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide
PubChem CID23648405
Molecular FormulaC23H27F3N4O4
Molecular Weight480.49 g/mol
Exact Mass480.20
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide
SMILESO=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C23H27F3N4O4/c24-23(25,26)34-19-8-6-18(7-9-19)27-10-11-28-21(31)20(16-17-4-2-1-3-5-17)29-22(32)30-12-14-33-15-13-30/h1-9,20,27H,10-16H2,(H,28,31)(H,29,32)/t20-/m0/s1
InChIKeyAPPKAZSWZRTNJZ-FQEVSTJZSA-N
XLogP2.77
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide (CID 23648405) is N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide is O=C(NCCNc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide?
The InChIKey is APPKAZSWZRTNJZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27F3N4O4/c24-23(25,26)34-19-8-6-18(7-9-19)27-10-11-28-21(31)20(16-17-4-2-1-3-5-17)29-22(32)30-12-14-33-15-13-30/h1-9,20,27H,10-16H2,(H,28,31)(H,29,32)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-[2-[4-(trifluoromethoxy)anilino]ethylamino]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 23648405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).