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

C8H15NO2 — CID 178009985

IUPACN-[(E)-but-2-enyl]-2-ethoxyacetamide
SMILESC/C=C/CNC(=O)COCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-8(10)7-11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyCNBZSUGGFZQARW-HWKANZROSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds5

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

N-[(E)-but-2-enyl]-2-ethoxyacetamide (PubChem CID 178009985) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-ethoxyacetamide
PubChem CID178009985
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-[(E)-but-2-enyl]-2-ethoxyacetamide
SMILESC/C=C/CNC(=O)COCC
InChIInChI=1S/C8H15NO2/c1-3-5-6-9-8(10)7-11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+
InChIKeyCNBZSUGGFZQARW-HWKANZROSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-enyl]-2-ethoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
CID 58057340
2-(fluoromethoxy)-N-prop-2-enylacetamide
CID 88551604
CID 166107318
CID 166107318
N-[(E)-3-fluoroprop-2-enyl]-2-methoxyacetamide
CID 170368251
Acetic acid, 2-oxo-2-(2-propen-1-ylamino)-, ethyl ester
CID 6420265
1,4-Oxazepin-3(4h)-one
CID 129840273
N-[(E)-4-aminobut-2-enyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209728
N-[(Z)-2-(fluoromethyl)but-2-enyl]-2-methoxyacetamide
CID 178802488
Oxalic acid, monoamide, N-allyl-, propyl ester
CID 6420266
Oxalic acid, monoamide, N-allyl-, isobutyl ester
CID 6420270
N-Allyl-2-methoxy-acetamide
CID 11355489
N-but-3-enyl-2-propoxyacetamide
CID 17780693

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-ethoxyacetamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-ethoxyacetamide (CID 178009985) is N-[(E)-but-2-enyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-ethoxyacetamide is C/C=C/CNC(=O)COCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-ethoxyacetamide?
The InChIKey is CNBZSUGGFZQARW-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-6-9-8(10)7-11-4-2/h3,5H,4,6-7H2,1-2H3,(H,9,10)/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]-2-ethoxyacetamide?
N-[(E)-but-2-enyl]-2-ethoxyacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.72, 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 is sourced from PubChem (CID 178009985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).