4-ethoxy-N-(2-methylprop-2-enyl)butanamide

C10H19NO2 — CID 114618597

IUPAC4-ethoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCCOCC
InChIInChI=1S/C10H19NO2/c1-4-13-7-5-6-10(12)11-8-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeySJBNPUXNKYBRPS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds7

About 4-ethoxy-N-(2-methylprop-2-enyl)butanamide

4-ethoxy-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618597) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618597
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-ethoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCCOCC
InChIInChI=1S/C10H19NO2/c1-4-13-7-5-6-10(12)11-8-9(2)3/h2,4-8H2,1,3H3,(H,11,12)
InChIKeySJBNPUXNKYBRPS-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
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

4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
4-(4-ethoxybutanoylamino)-3-methylbutanoic acid
CID 81063028
N-[2-(aminomethyl)-2-ethylbutyl]-4-ethoxybutanamide
CID 114164021
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925
CID 169190202
CID 169190202
3-ethoxy-N-ethylpropanamide
CID 58030283
ethane;4-ethoxy-N-(2-methylsulfonylethyl)butanamide;methanethiol
CID 166155063

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 4-ethoxy-N-(2-methylprop-2-enyl)butanamide (CID 114618597) is 4-ethoxy-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 4-ethoxy-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CCCOCC.
What is the InChIKey of 4-ethoxy-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is SJBNPUXNKYBRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-7-5-6-10(12)11-8-9(2)3/h2,4-8H2,1,3H3,(H,11,12).
What are the key properties of 4-ethoxy-N-(2-methylprop-2-enyl)butanamide?
4-ethoxy-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).