N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid

C19H43N2O5P — CID 71587478

IUPACN-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(=O)NCCCN(C)C.O=P(O)(O)O
InChIInChI=1S/C19H40N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3;1-5(2,3)4/h4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4)
InChIKeyWDSHHJLKKKNVDS-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.83
Rot. Bonds16

About N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid

N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid (PubChem CID 71587478) has the molecular formula C19H43N2O5P and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
PubChem CID71587478
Molecular FormulaC19H43N2O5P
Molecular Weight410.54 g/mol
Exact Mass410.29
IUPAC NameN-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(=O)NCCCN(C)C.O=P(O)(O)O
InChIInChI=1S/C19H40N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3;1-5(2,3)4/h4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4)
InChIKeyWDSHHJLKKKNVDS-UHFFFAOYSA-N
XLogP3.83
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[3-(dimethylamino)propyl]octadecanamide;nitric acid
CID 71346654
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
CID 140756261
CID 140756261
N-[5-(dimethylamino)-4-hydroxypentyl]octadecanamide;phosphoric acid
CID 174874893

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The IUPAC name of N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid (CID 71587478) is N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid is CCCCCCCCCCCCCC(=O)NCCCN(C)C.O=P(O)(O)O.
What is the InChIKey of N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The InChIKey is WDSHHJLKKKNVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3;1-5(2,3)4/h4-18H2,1-3H3,(H,20,22);(H3,1,2,3,4).
What are the key properties of N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid has a molecular weight of 410.54 g/mol, XLogP of 3.83, 16 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid is sourced from PubChem (CID 71587478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).