2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide

C24H49NO5 — CID 175684944

IUPAC2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)COCOCOCO
InChIInChI=1S/C24H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(2)24(27)20-28-22-30-23-29-21-26/h26H,3-23H2,1-2H3
InChIKeyFLPLQLRUMKLEOI-UHFFFAOYSA-N
MW431.66 g/mol
LogP5.62
Rot. Bonds24

About 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide

2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide (PubChem CID 175684944) has the molecular formula C24H49NO5 and a molecular weight of 431.66 g/mol. Its IUPAC name is 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide.

Molecular Properties

Compound Name2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
PubChem CID175684944
Molecular FormulaC24H49NO5
Molecular Weight431.66 g/mol
Exact Mass431.36
IUPAC Name2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)COCOCOCO
InChIInChI=1S/C24H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(2)24(27)20-28-22-30-23-29-21-26/h26H,3-23H2,1-2H3
InChIKeyFLPLQLRUMKLEOI-UHFFFAOYSA-N
XLogP5.62
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
ethyl N-methyl-N-octylcarbamate
CID 15790108

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide?
The IUPAC name of 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide (CID 175684944) is 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide.
What is the SMILES notation for 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide?
The canonical SMILES for 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCN(C)C(=O)COCOCOCO.
What is the InChIKey of 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide?
The InChIKey is FLPLQLRUMKLEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(2)24(27)20-28-22-30-23-29-21-26/h26H,3-23H2,1-2H3.
What are the key properties of 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide?
2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide has a molecular weight of 431.66 g/mol, XLogP of 5.62, 24 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide is sourced from PubChem (CID 175684944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).