methyl 3-[(2-ethylbenzoyl)amino]benzoate

C17H17NO3 — CID 81497347

IUPACmethyl 3-[(2-ethylbenzoyl)amino]benzoate
SMILESCCc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H17NO3/c1-3-12-7-4-5-10-15(12)16(19)18-14-9-6-8-13(11-14)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZGTUSFRISGJSID-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds4

About methyl 3-[(2-ethylbenzoyl)amino]benzoate

methyl 3-[(2-ethylbenzoyl)amino]benzoate (PubChem CID 81497347) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-[(2-ethylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethylbenzoyl)amino]benzoate
PubChem CID81497347
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[(2-ethylbenzoyl)amino]benzoate
SMILESCCc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C17H17NO3/c1-3-12-7-4-5-10-15(12)16(19)18-14-9-6-8-13(11-14)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyZGTUSFRISGJSID-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
2-ethyl-N-[3-(quinolin-2-ylcarbamoyl)phenyl]benzamide
CID 68778884
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-ethylbenzoyl)amino]benzoate (CID 81497347) is methyl 3-[(2-ethylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-ethylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-ethylbenzoyl)amino]benzoate is CCc1ccccc1C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[(2-ethylbenzoyl)amino]benzoate?
The InChIKey is ZGTUSFRISGJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-12-7-4-5-10-15(12)16(19)18-14-9-6-8-13(11-14)17(20)21-2/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of methyl 3-[(2-ethylbenzoyl)amino]benzoate?
methyl 3-[(2-ethylbenzoyl)amino]benzoate has a molecular weight of 283.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethylbenzoyl)amino]benzoate is sourced from PubChem (CID 81497347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).