N-(2-hydroxyethyl)hexadecanamide;phosphoric acid

C18H40NO6P — CID 172708754

IUPACN-(2-hydroxyethyl)hexadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C18H37NO2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20;1-5(2,3)4/h20H,2-17H2,1H3,(H,19,21);(H3,1,2,3,4)
InChIKeyDYMJKRUQRNYYQP-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.65
Rot. Bonds16

About N-(2-hydroxyethyl)hexadecanamide;phosphoric acid

N-(2-hydroxyethyl)hexadecanamide;phosphoric acid (PubChem CID 172708754) has the molecular formula C18H40NO6P and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)hexadecanamide;phosphoric acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)hexadecanamide;phosphoric acid
PubChem CID172708754
Molecular FormulaC18H40NO6P
Molecular Weight397.49 g/mol
Exact Mass397.26
IUPAC NameN-(2-hydroxyethyl)hexadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCC(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C18H37NO2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20;1-5(2,3)4/h20H,2-17H2,1H3,(H,19,21);(H3,1,2,3,4)
InChIKeyDYMJKRUQRNYYQP-UHFFFAOYSA-N
XLogP3.65
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.65
H-Bond Donors ≤ 55
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-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
8-[dibutyl(octyl)silyl]-N-(2-hydroxyethyl)octanamide
CID 122185135
ethane;N-propylheptanamide
CID 145289188
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
6-hydroxy-N-tetradecylhexanamide
CID 20542961

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)hexadecanamide;phosphoric acid?
The IUPAC name of N-(2-hydroxyethyl)hexadecanamide;phosphoric acid (CID 172708754) is N-(2-hydroxyethyl)hexadecanamide;phosphoric acid.
What is the SMILES notation for N-(2-hydroxyethyl)hexadecanamide;phosphoric acid?
The canonical SMILES for N-(2-hydroxyethyl)hexadecanamide;phosphoric acid is CCCCCCCCCCCCCCCC(=O)NCCO.O=P(O)(O)O.
What is the InChIKey of N-(2-hydroxyethyl)hexadecanamide;phosphoric acid?
The InChIKey is DYMJKRUQRNYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20;1-5(2,3)4/h20H,2-17H2,1H3,(H,19,21);(H3,1,2,3,4).
What are the key properties of N-(2-hydroxyethyl)hexadecanamide;phosphoric acid?
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid has a molecular weight of 397.49 g/mol, XLogP of 3.65, 16 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)hexadecanamide;phosphoric acid is sourced from PubChem (CID 172708754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).