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

C26H54N2O — CID 87405702

IUPACN-[[ethyl(methyl)amino]methyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCN(C)CC
InChIInChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)27-25-28(3)5-2/h4-25H2,1-3H3,(H,27,29)
InChIKeyALXYQNADHBEUIP-UHFFFAOYSA-N
MW410.73 g/mol
LogP7.83
Rot. Bonds23

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

N-[[ethyl(methyl)amino]methyl]docosanamide (PubChem CID 87405702) has the molecular formula C26H54N2O and a molecular weight of 410.73 g/mol. Its IUPAC name is N-[[ethyl(methyl)amino]methyl]docosanamide.

Molecular Properties

Compound NameN-[[ethyl(methyl)amino]methyl]docosanamide
PubChem CID87405702
Molecular FormulaC26H54N2O
Molecular Weight410.73 g/mol
Exact Mass410.42
IUPAC NameN-[[ethyl(methyl)amino]methyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCN(C)CC
InChIInChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)27-25-28(3)5-2/h4-25H2,1-3H3,(H,27,29)
InChIKeyALXYQNADHBEUIP-UHFFFAOYSA-N
XLogP7.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 57.83
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]octadecanamide
CID 24759515
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
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

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(methyl)amino]methyl]docosanamide?
The IUPAC name of N-[[ethyl(methyl)amino]methyl]docosanamide (CID 87405702) is N-[[ethyl(methyl)amino]methyl]docosanamide.
What is the SMILES notation for N-[[ethyl(methyl)amino]methyl]docosanamide?
The canonical SMILES for N-[[ethyl(methyl)amino]methyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCN(C)CC.
What is the InChIKey of N-[[ethyl(methyl)amino]methyl]docosanamide?
The InChIKey is ALXYQNADHBEUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)27-25-28(3)5-2/h4-25H2,1-3H3,(H,27,29).
What are the key properties of N-[[ethyl(methyl)amino]methyl]docosanamide?
N-[[ethyl(methyl)amino]methyl]docosanamide has a molecular weight of 410.73 g/mol, XLogP of 7.83, 23 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]docosanamide is sourced from PubChem (CID 87405702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).