methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate

C19H20N2O4 — CID 890938

IUPACmethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)17(22)20-14-8-6-7-13(11-14)18(23)21-16-10-5-4-9-15(16)19(24)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyBMKZZWFZZPMOCQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate

methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate (PubChem CID 890938) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
PubChem CID890938
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)17(22)20-14-8-6-7-13(11-14)18(23)21-16-10-5-4-9-15(16)19(24)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyBMKZZWFZZPMOCQ-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate (CID 890938) is methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
The InChIKey is BMKZZWFZZPMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)17(22)20-14-8-6-7-13(11-14)18(23)21-16-10-5-4-9-15(16)19(24)25-3/h4-12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate?
methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 890938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).