N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide

C14H27NO2 — CID 139967484

IUPACN-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCC)COC
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-15(12-17-4)14(16)13(2)3/h2,5-12H2,1,3-4H3
InChIKeyHHLFTKNUSUFNQX-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.36
Rot. Bonds10

About N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide

N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide (PubChem CID 139967484) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
PubChem CID139967484
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCCCCC)COC
InChIInChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-15(12-17-4)14(16)13(2)3/h2,5-12H2,1,3-4H3
InChIKeyHHLFTKNUSUFNQX-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-[3-(dimethylamino)propyl]-N-(methoxymethyl)-2-methylprop-2-enamide
CID 151029194
N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
CID 19038714
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 18794978
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N,N,N',N'-tetrahexyloxamide
CID 6424911
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
CID 174821718

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide (CID 139967484) is N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide is C=C(C)C(=O)N(CCCCCCCC)COC.
What is the InChIKey of N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide?
The InChIKey is HHLFTKNUSUFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-6-7-8-9-10-11-15(12-17-4)14(16)13(2)3/h2,5-12H2,1,3-4H3.
What are the key properties of N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide?
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide is sourced from PubChem (CID 139967484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).