ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide

C12H25NO2 — CID 154642916

IUPACethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide
SMILESCC.CC/C=C/CNC(=O)COCCC
InChIInChI=1S/C10H19NO2.C2H6/c1-3-5-6-7-11-10(12)9-13-8-4-2;1-2/h5-6H,3-4,7-9H2,1-2H3,(H,11,12);1-2H3/b6-5+;
InChIKeyOPYSVTKBUDJODN-IPZCTEOASA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds7

About ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide

ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide (PubChem CID 154642916) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide.

Molecular Properties

Compound Nameethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide
PubChem CID154642916
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide
SMILESCC.CC/C=C/CNC(=O)COCCC
InChIInChI=1S/C10H19NO2.C2H6/c1-3-5-6-7-11-10(12)9-13-8-4-2;1-2/h5-6H,3-4,7-9H2,1-2H3,(H,11,12);1-2H3/b6-5+;
InChIKeyOPYSVTKBUDJODN-IPZCTEOASA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Allyl-2-methoxy-acetamide
CID 11355489
[2-(methylamino)-2-oxoethyl] N-[(E)-hex-2-enyl]carbamate
CID 11960458
(2-amino-2-oxoethyl) N-[(E)-hex-2-enyl]carbamate
CID 11960459
(2-amino-2-oxoethyl) N-[(Z)-hex-2-enyl]carbamate
CID 11960460
N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
N-but-2-enyl-2-methoxyacetamide
CID 72618261
[2-(methylamino)-2-oxoethyl] N-hex-2-enylcarbamate
CID 73154017
(2-amino-2-oxoethyl) N-hex-2-enylcarbamate
CID 73154018

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide?
The IUPAC name of ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide (CID 154642916) is ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide.
What is the SMILES notation for ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide?
The canonical SMILES for ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide is CC.CC/C=C/CNC(=O)COCCC.
What is the InChIKey of ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide?
The InChIKey is OPYSVTKBUDJODN-IPZCTEOASA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-3-5-6-7-11-10(12)9-13-8-4-2;1-2/h5-6H,3-4,7-9H2,1-2H3,(H,11,12);1-2H3/b6-5+;.
What are the key properties of ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide?
ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide has a molecular weight of 215.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide is sourced from PubChem (CID 154642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).