2-(dimethylamino)-N-octadecylacetamide;ethane

C24H52N2O — CID 90860669

IUPAC2-(dimethylamino)-N-octadecylacetamide;ethane
SMILESCC.CCCCCCCCCCCCCCCCCCNC(=O)CN(C)C
InChIInChI=1S/C22H46N2O.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(25)21-24(2)3;1-2/h4-21H2,1-3H3,(H,23,25);1-2H3
InChIKeyIKBWFSWGTGYKEP-UHFFFAOYSA-N
MW384.69 g/mol
LogP6.95
Rot. Bonds19

About 2-(dimethylamino)-N-octadecylacetamide;ethane

2-(dimethylamino)-N-octadecylacetamide;ethane (PubChem CID 90860669) has the molecular formula C24H52N2O and a molecular weight of 384.69 g/mol. Its IUPAC name is 2-(dimethylamino)-N-octadecylacetamide;ethane.

Molecular Properties

Compound Name2-(dimethylamino)-N-octadecylacetamide;ethane
PubChem CID90860669
Molecular FormulaC24H52N2O
Molecular Weight384.69 g/mol
Exact Mass384.41
IUPAC Name2-(dimethylamino)-N-octadecylacetamide;ethane
SMILESCC.CCCCCCCCCCCCCCCCCCNC(=O)CN(C)C
InChIInChI=1S/C22H46N2O.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(25)21-24(2)3;1-2/h4-21H2,1-3H3,(H,23,25);1-2H3
InChIKeyIKBWFSWGTGYKEP-UHFFFAOYSA-N
XLogP6.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
2-[acetyl(methyl)amino]-N-dodecylacetamide
CID 154143762
2-[acetyl(methyl)amino]-N-hexylacetamide
CID 71897485
N-decyl-2-[2-[di(nonyl)amino]ethyl-nonylamino]acetamide
CID 137363672
ethane;N-undecylpropanamide
CID 155706114
2-[2-[2-[2-[bis[2-(dodecylamino)-2-oxoethyl]amino]ethylamino]ethylamino]ethyl-[2-(dodecylamino)-2-oxoethyl]amino]-N-decylacetamide
CID 118180371
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(tridecylamino)ethyl]amino]ethyl]amino]acetic acid
CID 87241288

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-octadecylacetamide;ethane?
The IUPAC name of 2-(dimethylamino)-N-octadecylacetamide;ethane (CID 90860669) is 2-(dimethylamino)-N-octadecylacetamide;ethane.
What is the SMILES notation for 2-(dimethylamino)-N-octadecylacetamide;ethane?
The canonical SMILES for 2-(dimethylamino)-N-octadecylacetamide;ethane is CC.CCCCCCCCCCCCCCCCCCNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-octadecylacetamide;ethane?
The InChIKey is IKBWFSWGTGYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2O.C2H6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-22(25)21-24(2)3;1-2/h4-21H2,1-3H3,(H,23,25);1-2H3.
What are the key properties of 2-(dimethylamino)-N-octadecylacetamide;ethane?
2-(dimethylamino)-N-octadecylacetamide;ethane has a molecular weight of 384.69 g/mol, XLogP of 6.95, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-octadecylacetamide;ethane is sourced from PubChem (CID 90860669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).