N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide

C15H31F3N3O3P — CID 89002790

IUPACN-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
SMILESCC(CN)OP(OCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H31F3N3O3P/c1-11(2)21(12(3)4)25(24-13(5)10-19)23-9-7-6-8-20-14(22)15(16,17)18/h11-13H,6-10,19H2,1-5H3,(H,20,22)
InChIKeyXRHPPLQEJDUOOE-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.17
Rot. Bonds12

About N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide

N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide (PubChem CID 89002790) has the molecular formula C15H31F3N3O3P and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
PubChem CID89002790
Molecular FormulaC15H31F3N3O3P
Molecular Weight389.40 g/mol
Exact Mass389.21
IUPAC NameN-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide
SMILESCC(CN)OP(OCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C
InChIInChI=1S/C15H31F3N3O3P/c1-11(2)21(12(3)4)25(24-13(5)10-19)23-9-7-6-8-20-14(22)15(16,17)18/h11-13H,6-10,19H2,1-5H3,(H,20,22)
InChIKeyXRHPPLQEJDUOOE-UHFFFAOYSA-N
XLogP3.17
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 54183086
N-[4-[[di(propan-2-yl)amino]-methylphosphanyl]oxybutyl]-2,2,2-trifluoroacetamide;methane
CID 158284909
N-[6-[[di(propan-2-yl)amino]-(3-methyliminopropoxy)phosphanyl]oxyhexyl]-2,2,2-trifluoroacetamide
CID 176716502
4-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxybutylcarbamic acid
CID 91475928
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
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropylcarbamic acid
CID 91605110
16-[6-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyhexylcarbamoylamino]hexadecyl acetate
CID 170630683
N-(4-ethoxybutyl)-2,2,2-trifluoroacetamide
CID 130756999
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide (CID 89002790) is N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide is CC(CN)OP(OCCCCNC(=O)C(F)(F)F)N(C(C)C)C(C)C.
What is the InChIKey of N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide?
The InChIKey is XRHPPLQEJDUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N3O3P/c1-11(2)21(12(3)4)25(24-13(5)10-19)23-9-7-6-8-20-14(22)15(16,17)18/h11-13H,6-10,19H2,1-5H3,(H,20,22).
What are the key properties of N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide?
N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide has a molecular weight of 389.40 g/mol, XLogP of 3.17, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-aminopropan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxybutyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 89002790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).