CID 159685847

C16H15NNaO2 — CID 159685847

IUPAC—
SMILESCC(=O)CC(=O)N(c1ccccc1)c1ccccc1.[Na]
InChIInChI=1S/C16H15NO2.Na/c1-13(18)12-16(19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12H2,1H3;
InChIKeyMVTZOPBOXKJAJT-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.95
Rot. Bonds4

About CID 159685847

CID 159685847 (PubChem CID 159685847) has the molecular formula C16H15NNaO2 and a molecular weight of 276.29 g/mol.

Molecular Properties

Compound NameCID 159685847
PubChem CID159685847
Molecular FormulaC16H15NNaO2
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name—
SMILESCC(=O)CC(=O)N(c1ccccc1)c1ccccc1.[Na]
InChIInChI=1S/C16H15NO2.Na/c1-13(18)12-16(19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12H2,1H3;
InChIKeyMVTZOPBOXKJAJT-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895
3-oxo-N-phenyl-N-phenylmethoxybutanamide
CID 12589379
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
3-chloro-N,N-diphenylpropanamide
CID 3331408
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
N-fluoro-8-oxo-N-phenylnonanamide
CID 174449894
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
3-ethoxy-1,1-diphenylurea
CID 162373128

Frequently Asked Questions

What is the IUPAC name of CID 159685847?
The IUPAC name of CID 159685847 (CID 159685847) is not available.
What is the SMILES notation for CID 159685847?
The canonical SMILES for CID 159685847 is CC(=O)CC(=O)N(c1ccccc1)c1ccccc1.[Na].
What is the InChIKey of CID 159685847?
The InChIKey is MVTZOPBOXKJAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2.Na/c1-13(18)12-16(19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11H,12H2,1H3;.
What are the key properties of CID 159685847?
CID 159685847 has a molecular weight of 276.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159685847 is sourced from PubChem (CID 159685847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).