ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate

C21H24N2O5 — CID 3805925

IUPACethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C21H24N2O5/c1-3-27-19(24)15-23(14-16-10-6-5-7-11-16)21(26)22-18-13-9-8-12-17(18)20(25)28-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,22,26)
InChIKeyAUNDJBBNGXCJOC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.46
Rot. Bonds8

About ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate

ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate (PubChem CID 3805925) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate
PubChem CID3805925
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)OCC
InChIInChI=1S/C21H24N2O5/c1-3-27-19(24)15-23(14-16-10-6-5-7-11-16)21(26)22-18-13-9-8-12-17(18)20(25)28-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,22,26)
InChIKeyAUNDJBBNGXCJOC-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate (CID 3805925) is ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate is CCOC(=O)CN(Cc1ccccc1)C(=O)Nc1ccccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate?
The InChIKey is AUNDJBBNGXCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-27-19(24)15-23(14-16-10-6-5-7-11-16)21(26)22-18-13-9-8-12-17(18)20(25)28-4-2/h5-13H,3-4,14-15H2,1-2H3,(H,22,26).
What are the key properties of ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate?
ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 3805925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).