methyl 2-cyano-2-(4-phenylanilino)acetate

C16H14N2O2 — CID 155683085

IUPACmethyl 2-cyano-2-(4-phenylanilino)acetate
SMILESCOC(=O)C(C#N)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)15(11-17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3
InChIKeyXJYRSUGIHYHLKJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds4

About methyl 2-cyano-2-(4-phenylanilino)acetate

methyl 2-cyano-2-(4-phenylanilino)acetate (PubChem CID 155683085) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-cyano-2-(4-phenylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-cyano-2-(4-phenylanilino)acetate
PubChem CID155683085
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-cyano-2-(4-phenylanilino)acetate
SMILESCOC(=O)C(C#N)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H14N2O2/c1-20-16(19)15(11-17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3
InChIKeyXJYRSUGIHYHLKJ-UHFFFAOYSA-N
XLogP2.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-cyano-2-(4-phenylanilino)acetate 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

2-(4-phenylanilino)propanamide
CID 60671359
3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-anilinopropanoate
CID 3417283
methyl 2-chloro-2-(4-phenylphenyl)acetate
CID 55048098
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
methyl (2R)-2-cyano-3-oxo-3-phenylpropanoate
CID 98050501
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
methyl (2R)-2-anilinobutanoate
CID 51891380
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-2-(4-phenylanilino)acetate?
The IUPAC name of methyl 2-cyano-2-(4-phenylanilino)acetate (CID 155683085) is methyl 2-cyano-2-(4-phenylanilino)acetate.
What is the SMILES notation for methyl 2-cyano-2-(4-phenylanilino)acetate?
The canonical SMILES for methyl 2-cyano-2-(4-phenylanilino)acetate is COC(=O)C(C#N)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-cyano-2-(4-phenylanilino)acetate?
The InChIKey is XJYRSUGIHYHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-16(19)15(11-17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15,18H,1H3.
What are the key properties of methyl 2-cyano-2-(4-phenylanilino)acetate?
methyl 2-cyano-2-(4-phenylanilino)acetate has a molecular weight of 266.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-2-(4-phenylanilino)acetate is sourced from PubChem (CID 155683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).