N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid

C19H43N2O5P — CID 23169646

IUPACN-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.O=P(O)(O)O
InChIInChI=1S/C19H40N2O.H3O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18(6-2)21(3)4;1-5(2,3)4/h18H,5-17H2,1-4H3,(H,20,22);(H3,1,2,3,4)
InChIKeyFWECNYIFKADHSO-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.17
Rot. Bonds15

About N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid

N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid (PubChem CID 23169646) has the molecular formula C19H43N2O5P and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
PubChem CID23169646
Molecular FormulaC19H43N2O5P
Molecular Weight410.54 g/mol
Exact Mass410.29
IUPAC NameN-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.O=P(O)(O)O
InChIInChI=1S/C19H40N2O.H3O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18(6-2)21(3)4;1-5(2,3)4/h18H,5-17H2,1-4H3,(H,20,22);(H3,1,2,3,4)
InChIKeyFWECNYIFKADHSO-UHFFFAOYSA-N
XLogP4.17
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
(Z)-N-[1-(dimethylamino)propyl]octadec-9-enamide;propanoic acid
CID 87105651
N-[1-[hydroxy(propyl)amino]propyl]docosanamide
CID 175405068
N-pentan-3-yldocosanamide
CID 123339332
N-pentan-2-ylundecanamide
CID 173258559
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
CID 87487925
N-[1-(methylamino)propyl]docosanamide
CID 87067975
N-butan-2-ylhexacosanamide
CID 163047877
N-(1-hydroxybutyl)decanamide
CID 87762139
N-butan-2-ylnonanamide
CID 4188803

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The IUPAC name of N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid (CID 23169646) is N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid.
What is the SMILES notation for N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The canonical SMILES for N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid is CCCCCCCCCCCCCC(=O)NC(CC)N(C)C.O=P(O)(O)O.
What is the InChIKey of N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
The InChIKey is FWECNYIFKADHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O.H3O4P/c1-5-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18(6-2)21(3)4;1-5(2,3)4/h18H,5-17H2,1-4H3,(H,20,22);(H3,1,2,3,4).
What are the key properties of N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid?
N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid has a molecular weight of 410.54 g/mol, XLogP of 4.17, 15 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]tetradecanamide;phosphoric acid is sourced from PubChem (CID 23169646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).