ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate

C21H26N2O3 — CID 17490390

IUPACethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNC(C)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)17-8-6-7-9-19(17)23-20(24)13-22-16(4)18-12-14(2)10-11-15(18)3/h6-12,16,22H,5,13H2,1-4H3,(H,23,24)
InChIKeyDJXXEASBIQVNGY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.77
Rot. Bonds7

About ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate

ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate (PubChem CID 17490390) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate
PubChem CID17490390
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nameethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNC(C)c1cc(C)ccc1C
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)17-8-6-7-9-19(17)23-20(24)13-22-16(4)18-12-14(2)10-11-15(18)3/h6-12,16,22H,5,13H2,1-4H3,(H,23,24)
InChIKeyDJXXEASBIQVNGY-UHFFFAOYSA-N
XLogP3.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
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-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate (CID 17490390) is ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNC(C)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate?
The InChIKey is DJXXEASBIQVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-21(25)17-8-6-7-9-19(17)23-20(24)13-22-16(4)18-12-14(2)10-11-15(18)3/h6-12,16,22H,5,13H2,1-4H3,(H,23,24).
What are the key properties of ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate?
ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate has a molecular weight of 354.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 17490390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).