methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate

C20H24N2O3 — CID 20578138

IUPACmethyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate
SMILESCOC(=O)C(C)N(CCc1ccccc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C20H24N2O3/c1-15(20(24)25-3)22(13-12-17-8-5-4-6-9-17)19-11-7-10-18(14-19)21-16(2)23/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)
InChIKeyALBOLEOOVJXFBO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds7

About methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate

methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate (PubChem CID 20578138) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate
PubChem CID20578138
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate
SMILESCOC(=O)C(C)N(CCc1ccccc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C20H24N2O3/c1-15(20(24)25-3)22(13-12-17-8-5-4-6-9-17)19-11-7-10-18(14-19)21-16(2)23/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)
InChIKeyALBOLEOOVJXFBO-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
N-[2-(3-acetamido-N-acetylanilino)ethyl]-3-phenylpropanamide
CID 113061754
N-[3-[2-[(4-amino-6-methylpyrimidin-2-yl)-[(1S)-1-phenylethyl]amino]ethyl]phenyl]acetamide
CID 154452245
N-[3-[(2-oxo-1-phenylmethoxyethyl)-prop-2-enylamino]phenyl]acetamide
CID 88724802
methyl 2-(N-aminoanilino)propanoate
CID 11159863
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-acetamidobenzoate
CID 2582249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate?
The IUPAC name of methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate (CID 20578138) is methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate.
What is the SMILES notation for methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate?
The canonical SMILES for methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate is COC(=O)C(C)N(CCc1ccccc1)c1cccc(NC(C)=O)c1.
What is the InChIKey of methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate?
The InChIKey is ALBOLEOOVJXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(20(24)25-3)22(13-12-17-8-5-4-6-9-17)19-11-7-10-18(14-19)21-16(2)23/h4-11,14-15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate?
methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate has a molecular weight of 340.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-acetamido-N-(2-phenylethyl)anilino]propanoate is sourced from PubChem (CID 20578138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).