methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate

C16H15NO3 — CID 115142268

IUPACmethyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-17(15(18)16(19)20-2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLBTDWBZXTRRLOP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.49
Rot. Bonds2

About methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate

methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate (PubChem CID 115142268) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate
PubChem CID115142268
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-17(15(18)16(19)20-2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyLBTDWBZXTRRLOP-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(N-methyl-4-propan-2-ylanilino)-2-oxoacetate
CID 115142231
methyl 2-oxo-2-(N,3,4-trimethylanilino)acetate
CID 115142233
2-hydroxy-N-methyl-N-(4-phenylphenyl)acetamide
CID 115139692
methyl N-ethyl-N-(4-phenylphenyl)carbamate;hydrochloride
CID 173118829
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
(1,3-dioxoisoindol-2-yl) 2-(N-methylanilino)-2-oxoacetate
CID 132571998
(Z)-2-(N-methyl-4-phenylanilino)-1,4-diphenylbut-2-ene-1,4-dione
CID 6063122
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 146307600
methyl (3E)-3-[hydroxy(phenyl)methylidene]-5-(N-methylanilino)-4,5-dioxo-2-phenyliminopentanoate
CID 135418646

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate?
The IUPAC name of methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate (CID 115142268) is methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate?
The canonical SMILES for methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate is COC(=O)C(=O)N(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate?
The InChIKey is LBTDWBZXTRRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(15(18)16(19)20-2)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate?
methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate has a molecular weight of 269.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-methyl-4-phenylanilino)-2-oxoacetate is sourced from PubChem (CID 115142268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).