N-(2-methyloxiran-2-yl)octadecanamide

C21H41NO2 — CID 141168952

IUPACN-(2-methyloxiran-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1(C)CO1
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(2)19-24-21/h3-19H2,1-2H3,(H,22,23)
InChIKeyYHIDSYIWBBKNIX-UHFFFAOYSA-N
MW339.56 g/mol
LogP6.11
Rot. Bonds17

About N-(2-methyloxiran-2-yl)octadecanamide

N-(2-methyloxiran-2-yl)octadecanamide (PubChem CID 141168952) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-(2-methyloxiran-2-yl)octadecanamide.

Molecular Properties

Compound NameN-(2-methyloxiran-2-yl)octadecanamide
PubChem CID141168952
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-(2-methyloxiran-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC1(C)CO1
InChIInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(2)19-24-21/h3-19H2,1-2H3,(H,22,23)
InChIKeyYHIDSYIWBBKNIX-UHFFFAOYSA-N
XLogP6.11
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]octadecanamide
CID 129305066
N-(5-methyl-2-oxo-1,3-dioxan-5-yl)dodecanamide
CID 18996056
N-methylheptacosanamide
CID 18175889
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-(1-adamantyl)nonanamide
CID 4685611
ethane;N-methyltetradecanamide
CID 153349961
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-(3-methylpyrrolidin-3-yl)decanamide
CID 107422812
N-[1-(hydroxymethyl)cyclobutyl]nonanamide
CID 115878113
N-[1-(hydroxymethyl)cyclopentyl]heptanamide
CID 62518617

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxiran-2-yl)octadecanamide?
The IUPAC name of N-(2-methyloxiran-2-yl)octadecanamide (CID 141168952) is N-(2-methyloxiran-2-yl)octadecanamide.
What is the SMILES notation for N-(2-methyloxiran-2-yl)octadecanamide?
The canonical SMILES for N-(2-methyloxiran-2-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1(C)CO1.
What is the InChIKey of N-(2-methyloxiran-2-yl)octadecanamide?
The InChIKey is YHIDSYIWBBKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-21(2)19-24-21/h3-19H2,1-2H3,(H,22,23).
What are the key properties of N-(2-methyloxiran-2-yl)octadecanamide?
N-(2-methyloxiran-2-yl)octadecanamide has a molecular weight of 339.56 g/mol, XLogP of 6.11, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxiran-2-yl)octadecanamide is sourced from PubChem (CID 141168952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).