N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane

C12H25NO2 — CID 178010971

IUPACN-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane
SMILESC/C=C/CNC(=O)C(CC)OCC.CC
InChIInChI=1S/C10H19NO2.C2H6/c1-4-7-8-11-10(12)9(5-2)13-6-3;1-2/h4,7,9H,5-6,8H2,1-3H3,(H,11,12);1-2H3/b7-4+;
InChIKeyGTOIKVYROGUWOT-KQGICBIGSA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds6

About N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane

N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane (PubChem CID 178010971) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane
PubChem CID178010971
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane
SMILESC/C=C/CNC(=O)C(CC)OCC.CC
InChIInChI=1S/C10H19NO2.C2H6/c1-4-7-8-11-10(12)9(5-2)13-6-3;1-2/h4,7,9H,5-6,8H2,1-3H3,(H,11,12);1-2H3/b7-4+;
InChIKeyGTOIKVYROGUWOT-KQGICBIGSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985433
(2R,3R)-3-methyl-N-prop-2-enyloxirane-2-carboxamide
CID 13956403
N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
N-ethyl-3,3-dimethyl-2-prop-2-enoxybutanamide
CID 89093024
N-ethyl-3-methyl-2-prop-2-enoxybutanamide
CID 89093743
2-but-3-enoxy-N-ethylpropanamide
CID 89129102
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
N-[2-(2-oxobutoxy)ethyl]but-3-enamide
CID 123215100
N-[(E)-but-2-enyl]-2-butoxyacetamide
CID 155242791
N-[(Z)-but-2-enyl]-2-(2-methoxyethoxy)acetamide
CID 169873811
N-[(E)-but-2-enyl]-2-ethoxypropanamide
CID 178009933

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane (CID 178010971) is N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane is C/C=C/CNC(=O)C(CC)OCC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane?
The InChIKey is GTOIKVYROGUWOT-KQGICBIGSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-4-7-8-11-10(12)9(5-2)13-6-3;1-2/h4,7,9H,5-6,8H2,1-3H3,(H,11,12);1-2H3/b7-4+;.
What are the key properties of N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane?
N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane has a molecular weight of 215.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-ethoxybutanamide;ethane is sourced from PubChem (CID 178010971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).