ethyl 3-[(2-methylbenzoyl)amino]benzoate

C17H17NO3 — CID 835414

IUPACethyl 3-[(2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)13-8-6-9-14(11-13)18-16(19)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZBWKKMBNQISKAM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.42
Rot. Bonds4

About ethyl 3-[(2-methylbenzoyl)amino]benzoate

ethyl 3-[(2-methylbenzoyl)amino]benzoate (PubChem CID 835414) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 3-[(2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylbenzoyl)amino]benzoate
PubChem CID835414
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 3-[(2-methylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C17H17NO3/c1-3-21-17(20)13-8-6-9-14(11-13)18-16(19)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZBWKKMBNQISKAM-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 3-[(2-methylbenzoyl)amino]benzoate (CID 835414) is ethyl 3-[(2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(2-methylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(2-methylbenzoyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of ethyl 3-[(2-methylbenzoyl)amino]benzoate?
The InChIKey is ZBWKKMBNQISKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-17(20)13-8-6-9-14(11-13)18-16(19)15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 3-[(2-methylbenzoyl)amino]benzoate?
ethyl 3-[(2-methylbenzoyl)amino]benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 835414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).