methyl 2-(4-methylanilino)-2-phenylpropanoate

C17H19NO2 — CID 60990669

IUPACmethyl 2-(4-methylanilino)-2-phenylpropanoate
SMILESCOC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-9-11-15(12-10-13)18-17(2,16(19)20-3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeyFACIWYANGQWESU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.50
Rot. Bonds4

About methyl 2-(4-methylanilino)-2-phenylpropanoate

methyl 2-(4-methylanilino)-2-phenylpropanoate (PubChem CID 60990669) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-(4-methylanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-methylanilino)-2-phenylpropanoate
PubChem CID60990669
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-(4-methylanilino)-2-phenylpropanoate
SMILESCOC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-9-11-15(12-10-13)18-17(2,16(19)20-3)14-7-5-4-6-8-14/h4-12,18H,1-3H3
InChIKeyFACIWYANGQWESU-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-methylanilino)-2-phenylpropanoate 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-(4-fluoroanilino)-2-(4-methylphenyl)propanoate
CID 60992217
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205
methyl 2-(3-chloroanilino)-2-phenylpropanoate
CID 60991426
methyl 2-hydrazinyl-2-phenylpropanoate
CID 146190262
N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
CID 50974721
3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
methyl 2-(4-bromophenyl)-2-(4-fluoroanilino)propanoate
CID 60990747
methyl 2-(5-bromofuran-2-yl)-2-(4-methylanilino)propanoate
CID 104653371
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylanilino)-2-phenylpropanoate?
The IUPAC name of methyl 2-(4-methylanilino)-2-phenylpropanoate (CID 60990669) is methyl 2-(4-methylanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 2-(4-methylanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 2-(4-methylanilino)-2-phenylpropanoate is COC(=O)C(C)(Nc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl 2-(4-methylanilino)-2-phenylpropanoate?
The InChIKey is FACIWYANGQWESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-9-11-15(12-10-13)18-17(2,16(19)20-3)14-7-5-4-6-8-14/h4-12,18H,1-3H3.
What are the key properties of methyl 2-(4-methylanilino)-2-phenylpropanoate?
methyl 2-(4-methylanilino)-2-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylanilino)-2-phenylpropanoate is sourced from PubChem (CID 60990669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).