N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide

C24H49N2O2+ — CID 159292297

IUPACN-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC[N+]1(C)CCOCC1
InChIInChI=1S/C24H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)25-23-26(2)19-21-28-22-20-26/h3-23H2,1-2H3/p+1
InChIKeyNBHVPHMJGZTQGX-UHFFFAOYSA-O
MW397.67 g/mol
LogP5.80
Rot. Bonds18

About N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide

N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide (PubChem CID 159292297) has the molecular formula C24H49N2O2+ and a molecular weight of 397.67 g/mol. Its IUPAC name is N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide
PubChem CID159292297
Molecular FormulaC24H49N2O2+
Molecular Weight397.67 g/mol
Exact Mass397.38
IUPAC NameN-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC[N+]1(C)CCOCC1
InChIInChI=1S/C24H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)25-23-26(2)19-21-28-22-20-26/h3-23H2,1-2H3/p+1
InChIKeyNBHVPHMJGZTQGX-UHFFFAOYSA-O
XLogP5.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.67
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]octadecanamide
CID 3023894
N-ethylhexadecanamide
CID 18377756
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-ethyltridecanamide
CID 23297417
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
4-hexyl-4-methylmorpholin-4-ium hydroxide
CID 15768567
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
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide?
The IUPAC name of N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide (CID 159292297) is N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide.
What is the SMILES notation for N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide?
The canonical SMILES for N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC[N+]1(C)CCOCC1.
What is the InChIKey of N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide?
The InChIKey is NBHVPHMJGZTQGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H48N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)25-23-26(2)19-21-28-22-20-26/h3-23H2,1-2H3/p+1.
What are the key properties of N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide?
N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide has a molecular weight of 397.67 g/mol, XLogP of 5.80, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-4-ium-4-yl)methyl]octadecanamide is sourced from PubChem (CID 159292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).