N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide

C25H51NO3 — CID 18999305

IUPACN-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)CCCCC
InChIInChI=1S/C25H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-26(22-24(28)23-27)25(29)20-18-6-4-2/h24,27-28H,3-23H2,1-2H3
InChIKeyOFGULAZCCIHDND-UHFFFAOYSA-N
MW413.69 g/mol
LogP6.23
Rot. Bonds22

About N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide

N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide (PubChem CID 18999305) has the molecular formula C25H51NO3 and a molecular weight of 413.69 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
PubChem CID18999305
Molecular FormulaC25H51NO3
Molecular Weight413.69 g/mol
Exact Mass413.39
IUPAC NameN-(2,3-dihydroxypropyl)-N-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)CCCCC
InChIInChI=1S/C25H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-26(22-24(28)23-27)25(29)20-18-6-4-2/h24,27-28H,3-23H2,1-2H3
InChIKeyOFGULAZCCIHDND-UHFFFAOYSA-N
XLogP6.23
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.69
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxypropyl)-N-(3-hexadecoxy-2-hydroxypropyl)hexadecanamide
CID 19982435
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-hydroxypropanamide
CID 10150593
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-(2,3-dihydroxypropyl)-N-[2-(octadecylamino)-2-oxoethyl]hexadecanamide
CID 153406102
N-butyl-N-octyldecanamide
CID 18913402
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N-(2,3-dihydroxypropyl)-N-hexadecyl-2-methylheptanamide
CID 10310351
N-hexadecyl-N-[2-hydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propyl]hexadecanamide
CID 67778999
N,N-di(undecyl)pentanamide
CID 532896
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide (CID 18999305) is N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide is CCCCCCCCCCCCCCCCN(CC(O)CO)C(=O)CCCCC.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide?
The InChIKey is OFGULAZCCIHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-26(22-24(28)23-27)25(29)20-18-6-4-2/h24,27-28H,3-23H2,1-2H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide?
N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide has a molecular weight of 413.69 g/mol, XLogP of 6.23, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-hexadecylhexanamide is sourced from PubChem (CID 18999305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).