10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide

C48H92N2O4 — CID 87578056

IUPAC10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
SMILESCCCCCCCCC(CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCC(CCCCCCCC)CC1CO1)CC1CO1
InChIInChI=1S/C48H92N2O4/c1-3-5-7-9-15-23-31-43(39-45-41-53-45)33-25-17-11-13-19-27-35-47(51)49-37-29-21-22-30-38-50-48(52)36-28-20-14-12-18-26-34-44(40-46-42-54-46)32-24-16-10-8-6-4-2/h43-46H,3-42H2,1-2H3,(H,49,51)(H,50,52)
InChIKeyWRMXYMSPJQFTTH-UHFFFAOYSA-N
MW761.27 g/mol
LogP13.33
Rot. Bonds43

About 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide

10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide (PubChem CID 87578056) has the molecular formula C48H92N2O4 and a molecular weight of 761.27 g/mol. Its IUPAC name is 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide.

Molecular Properties

Compound Name10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
PubChem CID87578056
Molecular FormulaC48H92N2O4
Molecular Weight761.27 g/mol
Exact Mass760.71
IUPAC Name10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
SMILESCCCCCCCCC(CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCC(CCCCCCCC)CC1CO1)CC1CO1
InChIInChI=1S/C48H92N2O4/c1-3-5-7-9-15-23-31-43(39-45-41-53-45)33-25-17-11-13-19-27-35-47(51)49-37-29-21-22-30-38-50-48(52)36-28-20-14-12-18-26-34-44(40-46-42-54-46)32-24-16-10-8-6-4-2/h43-46H,3-42H2,1-2H3,(H,49,51)(H,50,52)
InChIKeyWRMXYMSPJQFTTH-UHFFFAOYSA-N
XLogP13.33
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds43
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.27
LogP ≤ 513.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-bis[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;N,N'-di(tetradecyl)decanediamide;4-[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;4-propyl-N,N'-di(tetradecyl)heptanediamide;N-tetradecylheptanamide
CID 123155920
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
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
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide?
The IUPAC name of 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide (CID 87578056) is 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide.
What is the SMILES notation for 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide?
The canonical SMILES for 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide is CCCCCCCCC(CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCC(CCCCCCCC)CC1CO1)CC1CO1.
What is the InChIKey of 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide?
The InChIKey is WRMXYMSPJQFTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H92N2O4/c1-3-5-7-9-15-23-31-43(39-45-41-53-45)33-25-17-11-13-19-27-35-47(51)49-37-29-21-22-30-38-50-48(52)36-28-20-14-12-18-26-34-44(40-46-42-54-46)32-24-16-10-8-6-4-2/h43-46H,3-42H2,1-2H3,(H,49,51)(H,50,52).
What are the key properties of 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide?
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide has a molecular weight of 761.27 g/mol, XLogP of 13.33, 43 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide is sourced from PubChem (CID 87578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).