N-[[ethyl(methyl)amino]methyl]octadecanamide

C22H46N2O — CID 24759515

IUPACN-[[ethyl(methyl)amino]methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCN(C)CC
InChIInChI=1S/C22H46N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24(3)5-2/h4-21H2,1-3H3,(H,23,25)
InChIKeyHZINAKNMHHMIOU-UHFFFAOYSA-N
MW354.62 g/mol
LogP6.27
Rot. Bonds19

About N-[[ethyl(methyl)amino]methyl]octadecanamide

N-[[ethyl(methyl)amino]methyl]octadecanamide (PubChem CID 24759515) has the molecular formula C22H46N2O and a molecular weight of 354.62 g/mol. Its IUPAC name is N-[[ethyl(methyl)amino]methyl]octadecanamide.

Molecular Properties

Compound NameN-[[ethyl(methyl)amino]methyl]octadecanamide
PubChem CID24759515
Molecular FormulaC22H46N2O
Molecular Weight354.62 g/mol
Exact Mass354.36
IUPAC NameN-[[ethyl(methyl)amino]methyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCN(C)CC
InChIInChI=1S/C22H46N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24(3)5-2/h4-21H2,1-3H3,(H,23,25)
InChIKeyHZINAKNMHHMIOU-UHFFFAOYSA-N
XLogP6.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 56.27
H-Bond Donors ≤ 51
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-[[ethyl(methyl)amino]methyl]docosanamide
CID 87405702
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-(hydroxymethyl)henicosanamide
CID 102116485
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(methyl)amino]methyl]octadecanamide?
The IUPAC name of N-[[ethyl(methyl)amino]methyl]octadecanamide (CID 24759515) is N-[[ethyl(methyl)amino]methyl]octadecanamide.
What is the SMILES notation for N-[[ethyl(methyl)amino]methyl]octadecanamide?
The canonical SMILES for N-[[ethyl(methyl)amino]methyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCN(C)CC.
What is the InChIKey of N-[[ethyl(methyl)amino]methyl]octadecanamide?
The InChIKey is HZINAKNMHHMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(25)23-21-24(3)5-2/h4-21H2,1-3H3,(H,23,25).
What are the key properties of N-[[ethyl(methyl)amino]methyl]octadecanamide?
N-[[ethyl(methyl)amino]methyl]octadecanamide has a molecular weight of 354.62 g/mol, XLogP of 6.27, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(methyl)amino]methyl]octadecanamide is sourced from PubChem (CID 24759515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).