ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate

C19H21NO3 — CID 110356214

IUPACethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-19(22)16-11-7-8-12-17(16)20-18(21)14(2)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyONMVYBLOAVAMTE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.68
Rot. Bonds6

About ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate

ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate (PubChem CID 110356214) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
PubChem CID110356214
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-19(22)16-11-7-8-12-17(16)20-18(21)14(2)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)
InChIKeyONMVYBLOAVAMTE-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate (CID 110356214) is ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(C)Cc1ccccc1.
What is the InChIKey of ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate?
The InChIKey is ONMVYBLOAVAMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-23-19(22)16-11-7-8-12-17(16)20-18(21)14(2)13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate?
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate is sourced from PubChem (CID 110356214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).