N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide

C13H15NO3 — CID 22892049

IUPACN-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
SMILESCCO/C=C/C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C13H15NO3/c1-3-17-8-7-13(16)11-5-4-6-12(9-11)14-10(2)15/h4-9H,3H2,1-2H3,(H,14,15)/b8-7+
InChIKeyNZGRJXSGEDNUAR-BQYQJAHWSA-N
MW233.27 g/mol
LogP2.38
Rot. Bonds5

About N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide (PubChem CID 22892049) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
PubChem CID22892049
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
SMILESCCO/C=C/C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C13H15NO3/c1-3-17-8-7-13(16)11-5-4-6-12(9-11)14-10(2)15/h4-9H,3H2,1-2H3,(H,14,15)/b8-7+
InChIKeyNZGRJXSGEDNUAR-BQYQJAHWSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide (CID 22892049) is N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide is CCO/C=C/C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide?
The InChIKey is NZGRJXSGEDNUAR-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-17-8-7-13(16)11-5-4-6-12(9-11)14-10(2)15/h4-9H,3H2,1-2H3,(H,14,15)/b8-7+.
What are the key properties of N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 22892049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).