N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium

C15H26F2N3O3Y- — CID 59414100

IUPACN-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium
SMILESC[CH-]NC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1.[Y]
InChIInChI=1S/C15H26F2N3O3.Y/c1-4-18-13(21)12(10-15(16,17)9-11(2)3)19-14(22)20-5-7-23-8-6-20;/h4,11-12H,5-10H2,1-3H3,(H,18,21)(H,19,22);/q-1;/t12-;/m0./s1
InChIKeyQWFPKCPJBHEKCL-YDALLXLXSA-N
MW423.29 g/mol
LogP1.76
Rot. Bonds7

About N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium

N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium (PubChem CID 59414100) has the molecular formula C15H26F2N3O3Y- and a molecular weight of 423.29 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium
PubChem CID59414100
Molecular FormulaC15H26F2N3O3Y-
Molecular Weight423.29 g/mol
Exact Mass423.10
IUPAC NameN-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium
SMILESC[CH-]NC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1.[Y]
InChIInChI=1S/C15H26F2N3O3.Y/c1-4-18-13(21)12(10-15(16,17)9-11(2)3)19-14(22)20-5-7-23-8-6-20;/h4,11-12H,5-10H2,1-3H3,(H,18,21)(H,19,22);/q-1;/t12-;/m0./s1
InChIKeyQWFPKCPJBHEKCL-YDALLXLXSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium 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-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium?
The IUPAC name of N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium (CID 59414100) is N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium?
The canonical SMILES for N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium is C[CH-]NC(=O)[C@H](CC(F)(F)CC(C)C)NC(=O)N1CCOCC1.[Y].
What is the InChIKey of N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium?
The InChIKey is QWFPKCPJBHEKCL-YDALLXLXSA-N. The full InChI is InChI=1S/C15H26F2N3O3.Y/c1-4-18-13(21)12(10-15(16,17)9-11(2)3)19-14(22)20-5-7-23-8-6-20;/h4,11-12H,5-10H2,1-3H3,(H,18,21)(H,19,22);/q-1;/t12-;/m0./s1.
What are the key properties of N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium?
N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium has a molecular weight of 423.29 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium is sourced from PubChem (CID 59414100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).