N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide

C15H30F3N2O3P — CID 54183086

IUPACN-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
SMILESCOP(OCCCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H30F3N2O3P/c1-12(2)20(13(3)4)24(22-5)23-11-9-7-6-8-10-19-14(21)15(16,17)18/h12-13H,6-11H2,1-5H3,(H,19,21)
InChIKeyPDFRXNGPBINTFX-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.23
Rot. Bonds12

About N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide

N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide (PubChem CID 54183086) has the molecular formula C15H30F3N2O3P and a molecular weight of 374.38 g/mol. Its IUPAC name is N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
PubChem CID54183086
Molecular FormulaC15H30F3N2O3P
Molecular Weight374.38 g/mol
Exact Mass374.19
IUPAC NameN-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
SMILESCOP(OCCCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H30F3N2O3P/c1-12(2)20(13(3)4)24(22-5)23-11-9-7-6-8-10-19-14(21)15(16,17)18/h12-13H,6-11H2,1-5H3,(H,19,21)
InChIKeyPDFRXNGPBINTFX-UHFFFAOYSA-N
XLogP4.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
CID 89002790
N-[6-[[di(propan-2-yl)amino]-(3-methyliminopropoxy)phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 176716502
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
CID 158284909
4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
CID 91475928
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
CID 91605110
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
N-[2-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 88925286
N-[hexoxy(methoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 59518293
2,2,2-trifluoro-N-(7-methyloctyl)acetamide
CID 62491646
16-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoylamino]hexadecyl acetate
CID 170630683
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696

Frequently Asked Questions

What is the IUPAC name of N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide (CID 54183086) is N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide is COP(OCCCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C.
What is the InChIKey of N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide?
The InChIKey is PDFRXNGPBINTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N2O3P/c1-12(2)20(13(3)4)24(22-5)23-11-9-7-6-8-10-19-14(21)15(16,17)18/h12-13H,6-11H2,1-5H3,(H,19,21).
What are the key properties of N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide?
N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide has a molecular weight of 374.38 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54183086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).