methyl 2-(2-phenylanilino)propanoate

C16H17NO2 — CID 54941069

IUPACmethyl 2-(2-phenylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(16(18)19-2)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12,17H,1-2H3
InChIKeyHLKBYXMTJGFIRX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About methyl 2-(2-phenylanilino)propanoate

methyl 2-(2-phenylanilino)propanoate (PubChem CID 54941069) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-(2-phenylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylanilino)propanoate
PubChem CID54941069
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-(2-phenylanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C16H17NO2/c1-12(16(18)19-2)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12,17H,1-2H3
InChIKeyHLKBYXMTJGFIRX-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilinopropanoate
CID 3417283
1-(2-phenylanilino)ethanesulfonic acid
CID 174617954
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
CID 66172915
ethyl 2-[(4-phenylnaphthalen-1-yl)amino]propanoate
CID 171673323
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
2-aminoacetic acid;methyl (2S)-2-(2-butan-2-ylanilino)propanoate
CID 70568138
methyl 2-(2-amino-3-chloroanilino)propanoate
CID 104834283
2-(2-phenylanilino)pentanoic acid
CID 83037413
2-(2-aminoanilino)propanoic acid
CID 67237083
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
methyl 2-(2-phenylanilino)acetate
CID 28569437
methyl 2-[(5-phenylthiophen-3-yl)amino]propanoate
CID 69319766

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylanilino)propanoate?
The IUPAC name of methyl 2-(2-phenylanilino)propanoate (CID 54941069) is methyl 2-(2-phenylanilino)propanoate.
What is the SMILES notation for methyl 2-(2-phenylanilino)propanoate?
The canonical SMILES for methyl 2-(2-phenylanilino)propanoate is COC(=O)C(C)Nc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylanilino)propanoate?
The InChIKey is HLKBYXMTJGFIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(16(18)19-2)17-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-12,17H,1-2H3.
What are the key properties of methyl 2-(2-phenylanilino)propanoate?
methyl 2-(2-phenylanilino)propanoate has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylanilino)propanoate is sourced from PubChem (CID 54941069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).