tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid

C57H123N6O7P — CID 173139559

IUPACtris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
SMILESCCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.O=P(O)(O)O
InChIInChI=1S/3C19H40N2O.H3O4P/c3*1-4-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(5-2)6-3;1-5(2,3)4/h3*4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4)
InChIKeyVFJOWXOOUCHWNJ-UHFFFAOYSA-N
MW1035.62 g/mol
LogP13.34
Rot. Bonds48

About tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid

tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid (PubChem CID 173139559) has the molecular formula C57H123N6O7P and a molecular weight of 1035.62 g/mol. Its IUPAC name is tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid.

Molecular Properties

Compound Nametris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
PubChem CID173139559
Molecular FormulaC57H123N6O7P
Molecular Weight1035.62 g/mol
Exact Mass1034.92
IUPAC Nametris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
SMILESCCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.O=P(O)(O)O
InChIInChI=1S/3C19H40N2O.H3O4P/c3*1-4-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(5-2)6-3;1-5(2,3)4/h3*4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4)
InChIKeyVFJOWXOOUCHWNJ-UHFFFAOYSA-N
XLogP13.34
TPSA174.78 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds48
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.62
LogP ≤ 513.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-propylheptanamide
CID 145289188
ethane;N-octylhexanamide
CID 177149935
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694

Frequently Asked Questions

What is the IUPAC name of tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid?
The IUPAC name of tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid (CID 173139559) is tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid.
What is the SMILES notation for tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid?
The canonical SMILES for tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid is CCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.CCCCCCCCCCCC(=O)NCCCN(CC)CC.O=P(O)(O)O.
What is the InChIKey of tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid?
The InChIKey is VFJOWXOOUCHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H40N2O.H3O4P/c3*1-4-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(5-2)6-3;1-5(2,3)4/h3*4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4).
What are the key properties of tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid?
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid has a molecular weight of 1035.62 g/mol, XLogP of 13.34, 48 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid is sourced from PubChem (CID 173139559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).