2-acetamido-N-benzylprop-2-enamide

C12H14N2O2 — CID 11127734

IUPAC2-acetamido-N-benzylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(14-10(2)15)12(16)13-8-11-6-4-3-5-7-11/h3-7H,1,8H2,2H3,(H,13,16)(H,14,15)
InChIKeyOVRHVEWKMXSKAL-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds4

About 2-acetamido-N-benzylprop-2-enamide

2-acetamido-N-benzylprop-2-enamide (PubChem CID 11127734) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-acetamido-N-benzylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-benzylprop-2-enamide
PubChem CID11127734
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-acetamido-N-benzylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(14-10(2)15)12(16)13-8-11-6-4-3-5-7-11/h3-7H,1,8H2,2H3,(H,13,16)(H,14,15)
InChIKeyOVRHVEWKMXSKAL-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzylprop-2-enamide?
The IUPAC name of 2-acetamido-N-benzylprop-2-enamide (CID 11127734) is 2-acetamido-N-benzylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-benzylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-benzylprop-2-enamide is C=C(NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzylprop-2-enamide?
The InChIKey is OVRHVEWKMXSKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(14-10(2)15)12(16)13-8-11-6-4-3-5-7-11/h3-7H,1,8H2,2H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-N-benzylprop-2-enamide?
2-acetamido-N-benzylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzylprop-2-enamide is sourced from PubChem (CID 11127734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).