ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate

C18H20N4O4 — CID 134104797

IUPACethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(NC(=O)NC)c1
InChIInChI=1S/C18H20N4O4/c1-3-26-16(23)14-9-4-5-10-15(14)22-18(25)21-13-8-6-7-12(11-13)20-17(24)19-2/h4-11H,3H2,1-2H3,(H2,19,20,24)(H2,21,22,25)
InChIKeyHEIMEVJXSGSKFH-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate

ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate (PubChem CID 134104797) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
PubChem CID134104797
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Nameethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(NC(=O)NC)c1
InChIInChI=1S/C18H20N4O4/c1-3-26-16(23)14-9-4-5-10-15(14)22-18(25)21-13-8-6-7-12(11-13)20-17(24)19-2/h4-11H,3H2,1-2H3,(H2,19,20,24)(H2,21,22,25)
InChIKeyHEIMEVJXSGSKFH-UHFFFAOYSA-N
XLogP3.26
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate (CID 134104797) is ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1cccc(NC(=O)NC)c1.
What is the InChIKey of ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate?
The InChIKey is HEIMEVJXSGSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-26-16(23)14-9-4-5-10-15(14)22-18(25)21-13-8-6-7-12(11-13)20-17(24)19-2/h4-11H,3H2,1-2H3,(H2,19,20,24)(H2,21,22,25).
What are the key properties of ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate?
ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate is sourced from PubChem (CID 134104797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).