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

C10H21NO2 — CID 178009984

IUPACN-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane
SMILESC/C=C/CNC(=O)COCC.CC
InChIInChI=1S/C8H15NO2.C2H6/c1-3-5-6-9-8(10)7-11-4-2;1-2/h3,5H,4,6-7H2,1-2H3,(H,9,10);1-2H3/b5-3+;
InChIKeyHJSXMVBFPKJRQE-WGCWOXMQSA-N
MW187.28 g/mol
LogP1.74
Rot. Bonds5

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

N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane (PubChem CID 178009984) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane
PubChem CID178009984
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane
SMILESC/C=C/CNC(=O)COCC.CC
InChIInChI=1S/C8H15NO2.C2H6/c1-3-5-6-9-8(10)7-11-4-2;1-2/h3,5H,4,6-7H2,1-2H3,(H,9,10);1-2H3/b5-3+;
InChIKeyHJSXMVBFPKJRQE-WGCWOXMQSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.74
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-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
[2-(but-2-enylamino)-2-oxoethyl] carbonochloridate
CID 54270413
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
3-[(2-ethoxyacetyl)amino]propanamide
CID 64591348
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
2-(2-methoxyethoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628176
2-[2-(3-acetylphenoxy)ethoxy]-N-[(E)-but-2-enyl]acetamide
CID 171832831
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane (CID 178009984) is N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane is C/C=C/CNC(=O)COCC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane?
The InChIKey is HJSXMVBFPKJRQE-WGCWOXMQSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6/c1-3-5-6-9-8(10)7-11-4-2;1-2/h3,5H,4,6-7H2,1-2H3,(H,9,10);1-2H3/b5-3+;.
What are the key properties of N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane?
N-[(E)-but-2-enyl]-2-ethoxyacetamide;ethane has a molecular weight of 187.28 g/mol, XLogP of 1.74, 5 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-ethoxyacetamide;ethane is sourced from PubChem (CID 178009984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).