ethane;N-ethyl-N-(4-oxopentyl)propanamide

C12H25NO2 — CID 143803136

IUPACethane;N-ethyl-N-(4-oxopentyl)propanamide
SMILESCC.CCC(=O)N(CC)CCCC(C)=O
InChIInChI=1S/C10H19NO2.C2H6/c1-4-10(13)11(5-2)8-6-7-9(3)12;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyWOARQASDYYVNRX-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.64
Rot. Bonds6

About ethane;N-ethyl-N-(4-oxopentyl)propanamide

ethane;N-ethyl-N-(4-oxopentyl)propanamide (PubChem CID 143803136) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;N-ethyl-N-(4-oxopentyl)propanamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-(4-oxopentyl)propanamide
PubChem CID143803136
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;N-ethyl-N-(4-oxopentyl)propanamide
SMILESCC.CCC(=O)N(CC)CCCC(C)=O
InChIInChI=1S/C10H19NO2.C2H6/c1-4-10(13)11(5-2)8-6-7-9(3)12;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyWOARQASDYYVNRX-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl(propyl)amino]pentan-2-one
CID 43792941
N-ethyl-N-[2-oxo-2-(6-oxoheptylamino)ethyl]propanamide
CID 155427463
N-butyl-N-ethylpentanamide
CID 4629847
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
N-(3-aminobutyl)-N-ethylpropanamide
CID 134484758
N-ethyl-N-octylbutanamide
CID 138793187
6-[ethyl(propyl)amino]hexan-2-one
CID 43792940
N-(3-aminopropyl)-N-butylpropanamide;ethane
CID 142121594
N-butyl-2-ethoxy-N-ethylacetamide
CID 4277867
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-(4-oxopentyl)propanamide?
The IUPAC name of ethane;N-ethyl-N-(4-oxopentyl)propanamide (CID 143803136) is ethane;N-ethyl-N-(4-oxopentyl)propanamide.
What is the SMILES notation for ethane;N-ethyl-N-(4-oxopentyl)propanamide?
The canonical SMILES for ethane;N-ethyl-N-(4-oxopentyl)propanamide is CC.CCC(=O)N(CC)CCCC(C)=O.
What is the InChIKey of ethane;N-ethyl-N-(4-oxopentyl)propanamide?
The InChIKey is WOARQASDYYVNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-4-10(13)11(5-2)8-6-7-9(3)12;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-(4-oxopentyl)propanamide?
ethane;N-ethyl-N-(4-oxopentyl)propanamide has a molecular weight of 215.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-(4-oxopentyl)propanamide is sourced from PubChem (CID 143803136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).