N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide

C11H12N2O2 — CID 152519841

IUPACN-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
SMILESCC(=O)NN=C(C)C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8(12-13-9(2)14)11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChIKeyYHHHEQVLWJQCOY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds3

About N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide

N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide (PubChem CID 152519841) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
PubChem CID152519841
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
SMILESCC(=O)NN=C(C)C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8(12-13-9(2)14)11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChIKeyYHHHEQVLWJQCOY-UHFFFAOYSA-N
XLogP1.38
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide
CID 130341387
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
(2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 25141038
N-(1-oxo-1-phenylpropan-2-ylidene)benzamide
CID 23255289
1-methylsulfanyl-3-[(Z)-[(1Z)-1-(methylsulfanylcarbamoylhydrazinylidene)-1-phenylpropan-2-ylidene]amino]urea
CID 20836516
N-[(Z)-(3,3-dimethyl-1-phenylbutylidene)amino]acetamide
CID 59351039
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
ethyl 2-(acetylhydrazinylidene)-2-phenylacetate
CID 90720670
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide?
The IUPAC name of N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide (CID 152519841) is N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide is CC(=O)NN=C(C)C(=O)c1ccccc1.
What is the InChIKey of N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide?
The InChIKey is YHHHEQVLWJQCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(12-13-9(2)14)11(15)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide?
N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxo-1-phenylpropan-2-ylidene)amino]acetamide is sourced from PubChem (CID 152519841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).