2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide

C13H14N2O3 — CID 54276850

IUPAC2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide
SMILESCC(=O)NCC(=O)NC(C=O)=Cc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10(17)14-8-13(18)15-12(9-16)7-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyCZUJXEUPLZKCQX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.48
Rot. Bonds5

About 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide

2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide (PubChem CID 54276850) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide
PubChem CID54276850
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide
SMILESCC(=O)NCC(=O)NC(C=O)=Cc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10(17)14-8-13(18)15-12(9-16)7-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,14,17)(H,15,18)
InChIKeyCZUJXEUPLZKCQX-UHFFFAOYSA-N
XLogP0.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[(Z)-3-oxo-1-pyridin-2-ylprop-1-en-2-yl]acetamide
CID 57073524
2-methyl-N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 22866421
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
N-[(E)-3-oxo-1-phenylprop-1-en-2-yl]-2-phenylbenzamide
CID 89316701
9H-fluoren-9-ylmethyl N-[(Z)-3-oxo-1-phenylprop-1-en-2-yl]carbamate
CID 89199392
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
CID 110305319
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
3-methyl-4-phenylbut-3-enamide
CID 23660
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The IUPAC name of 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide (CID 54276850) is 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide.
What is the SMILES notation for 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The canonical SMILES for 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide is CC(=O)NCC(=O)NC(C=O)=Cc1ccccc1.
What is the InChIKey of 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide?
The InChIKey is CZUJXEUPLZKCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10(17)14-8-13(18)15-12(9-16)7-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide?
2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-oxo-1-phenylprop-1-en-2-yl)acetamide is sourced from PubChem (CID 54276850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).