3-ethoxy-N-phenacylpropanamide

C13H17NO3 — CID 64991407

IUPAC3-ethoxy-N-phenacylpropanamide
SMILESCCOCCC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-9-8-13(16)14-10-12(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)
InChIKeyBQDYXUJGXUBTDI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.41
Rot. Bonds7

About 3-ethoxy-N-phenacylpropanamide

3-ethoxy-N-phenacylpropanamide (PubChem CID 64991407) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-ethoxy-N-phenacylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-phenacylpropanamide
PubChem CID64991407
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-ethoxy-N-phenacylpropanamide
SMILESCCOCCC(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-2-17-9-8-13(16)14-10-12(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)
InChIKeyBQDYXUJGXUBTDI-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenacyldocosa-4,7,10,13,16,19-hexaenamide
CID 123665751
N-phenacyl-2-propan-2-yloxyacetamide
CID 112602781
3-methyl-N-phenacylpentanamide
CID 114874845
N-[2-(dimethylamino)-2-oxoethyl]-4-oxo-4-phenylbutanamide
CID 9480707
3-ethoxy-N-ethylpropanamide
CID 58030283
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[2-[(4-ethoxybutanoylamino)methyl]phenyl]acetic acid
CID 81317970
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-phenacylpropanamide?
The IUPAC name of 3-ethoxy-N-phenacylpropanamide (CID 64991407) is 3-ethoxy-N-phenacylpropanamide.
What is the SMILES notation for 3-ethoxy-N-phenacylpropanamide?
The canonical SMILES for 3-ethoxy-N-phenacylpropanamide is CCOCCC(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 3-ethoxy-N-phenacylpropanamide?
The InChIKey is BQDYXUJGXUBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-9-8-13(16)14-10-12(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16).
What are the key properties of 3-ethoxy-N-phenacylpropanamide?
3-ethoxy-N-phenacylpropanamide has a molecular weight of 235.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-phenacylpropanamide is sourced from PubChem (CID 64991407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).