N-[(E)-but-2-enyl]-2-ethoxypropanamide

C9H17NO2 — CID 178009933

IUPACN-[(E)-but-2-enyl]-2-ethoxypropanamide
SMILESC/C=C/CNC(=O)C(C)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10-9(11)8(3)12-5-2/h4,6,8H,5,7H2,1-3H3,(H,10,11)/b6-4+
InChIKeyDLSNOQHCHUGEGL-GQCTYLIASA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-ethoxypropanamide

N-[(E)-but-2-enyl]-2-ethoxypropanamide (PubChem CID 178009933) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethoxypropanamide
PubChem CID178009933
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(E)-but-2-enyl]-2-ethoxypropanamide
SMILESC/C=C/CNC(=O)C(C)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-10-9(11)8(3)12-5-2/h4,6,8H,5,7H2,1-3H3,(H,10,11)/b6-4+
InChIKeyDLSNOQHCHUGEGL-GQCTYLIASA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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

2-propoxy-N-propylpropanamide
CID 87338730
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985433
N-Allyl-2-methoxy-acetamide
CID 11355489
N-but-3-enyl-2-propoxyacetamide
CID 17780693
2-ethoxy-N-prop-2-enylacetamide
CID 17780821
2-ethoxy-N-propylpropanamide
CID 58332939
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
CID 60007900
2,6-dimethyl-N-prop-2-enylmorpholine-2-carboxamide
CID 70394900
N-but-2-enyl-2-methoxyacetamide
CID 72618261
N-but-3-enyl-2-(3-methylbutoxy)propanamide
CID 88950956
N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide
CID 89044299

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethoxypropanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethoxypropanamide (CID 178009933) is N-[(E)-but-2-enyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethoxypropanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethoxypropanamide is C/C=C/CNC(=O)C(C)OCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethoxypropanamide?
The InChIKey is DLSNOQHCHUGEGL-GQCTYLIASA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-10-9(11)8(3)12-5-2/h4,6,8H,5,7H2,1-3H3,(H,10,11)/b6-4+.
What are the key properties of N-[(E)-but-2-enyl]-2-ethoxypropanamide?
N-[(E)-but-2-enyl]-2-ethoxypropanamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 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-ethoxypropanamide is sourced from PubChem (CID 178009933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).