N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide

C13H15NO3 — CID 131881488

IUPACN-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(C(=O)CC=O)c1
InChIInChI=1S/C13H15NO3/c1-3-14(10(2)16)12-6-4-5-11(9-12)13(17)7-8-15/h4-6,8-9H,3,7H2,1-2H3
InChIKeyHHIPQUFEBOKZDP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds5

About N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide

N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide (PubChem CID 131881488) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide
PubChem CID131881488
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(C(=O)CC=O)c1
InChIInChI=1S/C13H15NO3/c1-3-14(10(2)16)12-6-4-5-11(9-12)13(17)7-8-15/h4-6,8-9H,3,7H2,1-2H3
InChIKeyHHIPQUFEBOKZDP-UHFFFAOYSA-N
XLogP1.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide (CID 131881488) is N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide is CCN(C(C)=O)c1cccc(C(=O)CC=O)c1.
What is the InChIKey of N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide?
The InChIKey is HHIPQUFEBOKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14(10(2)16)12-6-4-5-11(9-12)13(17)7-8-15/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide?
N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(3-oxopropanoyl)phenyl]acetamide is sourced from PubChem (CID 131881488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).