ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate

C19H21NO3 — CID 38005419

IUPACethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)15-6-5-7-17(11-15)20-18(21)12-16-10-13(2)8-9-14(16)3/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyVLMPFBNDOXHCCE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds5

About ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate

ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate (PubChem CID 38005419) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate
PubChem CID38005419
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C19H21NO3/c1-4-23-19(22)15-6-5-7-17(11-15)20-18(21)12-16-10-13(2)8-9-14(16)3/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyVLMPFBNDOXHCCE-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate (CID 38005419) is ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)Cc2cc(C)ccc2C)c1.
What is the InChIKey of ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate?
The InChIKey is VLMPFBNDOXHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-23-19(22)15-6-5-7-17(11-15)20-18(21)12-16-10-13(2)8-9-14(16)3/h5-11H,4,12H2,1-3H3,(H,20,21).
What are the key properties of ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate?
ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 38005419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).