N-[5-(methylamino)-6-oxooctyl]hexadecanamide

C25H50N2O2 — CID 164856658

IUPACN-[5-(methylamino)-6-oxooctyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCC(NC)C(=O)CC
InChIInChI=1S/C25H50N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-22-19-18-20-23(26-3)24(28)5-2/h23,26H,4-22H2,1-3H3,(H,27,29)
InChIKeyKPABJPYADSXISR-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.32
Rot. Bonds22

About N-[5-(methylamino)-6-oxooctyl]hexadecanamide

N-[5-(methylamino)-6-oxooctyl]hexadecanamide (PubChem CID 164856658) has the molecular formula C25H50N2O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is N-[5-(methylamino)-6-oxooctyl]hexadecanamide.

Molecular Properties

Compound NameN-[5-(methylamino)-6-oxooctyl]hexadecanamide
PubChem CID164856658
Molecular FormulaC25H50N2O2
Molecular Weight410.69 g/mol
Exact Mass410.39
IUPAC NameN-[5-(methylamino)-6-oxooctyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCCC(NC)C(=O)CC
InChIInChI=1S/C25H50N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-22-19-18-20-23(26-3)24(28)5-2/h23,26H,4-22H2,1-3H3,(H,27,29)
InChIKeyKPABJPYADSXISR-UHFFFAOYSA-N
XLogP6.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.32
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-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665
6-[6-(hexadecanoylamino)hexanoylamino]-2-(methylamino)hexanoic acid
CID 174209801
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-hexyl-6-methylheptanamide
CID 141197249
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)-6-oxooctyl]hexadecanamide?
The IUPAC name of N-[5-(methylamino)-6-oxooctyl]hexadecanamide (CID 164856658) is N-[5-(methylamino)-6-oxooctyl]hexadecanamide.
What is the SMILES notation for N-[5-(methylamino)-6-oxooctyl]hexadecanamide?
The canonical SMILES for N-[5-(methylamino)-6-oxooctyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCCCC(NC)C(=O)CC.
What is the InChIKey of N-[5-(methylamino)-6-oxooctyl]hexadecanamide?
The InChIKey is KPABJPYADSXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25(29)27-22-19-18-20-23(26-3)24(28)5-2/h23,26H,4-22H2,1-3H3,(H,27,29).
What are the key properties of N-[5-(methylamino)-6-oxooctyl]hexadecanamide?
N-[5-(methylamino)-6-oxooctyl]hexadecanamide has a molecular weight of 410.69 g/mol, XLogP of 6.32, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)-6-oxooctyl]hexadecanamide is sourced from PubChem (CID 164856658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).