N-(hydroxymethyl)henicosanamide

C22H45NO2 — CID 102116485

IUPACN-(hydroxymethyl)henicosanamide
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)NCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24/h24H,2-21H2,1H3,(H,23,25)
InChIKeyDJXXJURCPPLUPB-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.48
Rot. Bonds20

About N-(hydroxymethyl)henicosanamide

N-(hydroxymethyl)henicosanamide (PubChem CID 102116485) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-(hydroxymethyl)henicosanamide.

Molecular Properties

Compound NameN-(hydroxymethyl)henicosanamide
PubChem CID102116485
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN-(hydroxymethyl)henicosanamide
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)NCO
InChIInChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24/h24H,2-21H2,1H3,(H,23,25)
InChIKeyDJXXJURCPPLUPB-UHFFFAOYSA-N
XLogP6.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)henicosanamide?
The IUPAC name of N-(hydroxymethyl)henicosanamide (CID 102116485) is N-(hydroxymethyl)henicosanamide.
What is the SMILES notation for N-(hydroxymethyl)henicosanamide?
The canonical SMILES for N-(hydroxymethyl)henicosanamide is CCCCCCCCCCCCCCCCCCCCC(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)henicosanamide?
The InChIKey is DJXXJURCPPLUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24/h24H,2-21H2,1H3,(H,23,25).
What are the key properties of N-(hydroxymethyl)henicosanamide?
N-(hydroxymethyl)henicosanamide has a molecular weight of 355.61 g/mol, XLogP of 6.48, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)henicosanamide is sourced from PubChem (CID 102116485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).