ethane;N-methyl-N-octylacetamide

C13H29NO — CID 142531459

IUPACethane;N-methyl-N-octylacetamide
SMILESCC.CCCCCCCCN(C)C(C)=O
InChIInChI=1S/C11H23NO.C2H6/c1-4-5-6-7-8-9-10-12(3)11(2)13;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyZNZXESXBAONYHO-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.85
Rot. Bonds7

About ethane;N-methyl-N-octylacetamide

ethane;N-methyl-N-octylacetamide (PubChem CID 142531459) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;N-methyl-N-octylacetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-octylacetamide
PubChem CID142531459
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;N-methyl-N-octylacetamide
SMILESCC.CCCCCCCCN(C)C(C)=O
InChIInChI=1S/C11H23NO.C2H6/c1-4-5-6-7-8-9-10-12(3)11(2)13;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyZNZXESXBAONYHO-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-methylacetamide
CID 22114742
N-butyl-N-methylacetamide;ethane
CID 142088805
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
CID 10714096
N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
CID 167519800
hexadecyl(methyl)carbamic acid
CID 15173799
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
N-methyl-N-propylacetamide;octadecanamide
CID 174331077
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-acetyl-N-decylacetamide
CID 57029087
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-octylacetamide?
The IUPAC name of ethane;N-methyl-N-octylacetamide (CID 142531459) is ethane;N-methyl-N-octylacetamide.
What is the SMILES notation for ethane;N-methyl-N-octylacetamide?
The canonical SMILES for ethane;N-methyl-N-octylacetamide is CC.CCCCCCCCN(C)C(C)=O.
What is the InChIKey of ethane;N-methyl-N-octylacetamide?
The InChIKey is ZNZXESXBAONYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-4-5-6-7-8-9-10-12(3)11(2)13;1-2/h4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-octylacetamide?
ethane;N-methyl-N-octylacetamide has a molecular weight of 215.38 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-octylacetamide is sourced from PubChem (CID 142531459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).