ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate

C20H22N2O5 — CID 109052641

IUPACethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)14-7-9-17(10-8-14)22-19(24)16-6-4-5-15(13-16)18(23)21-11-12-26-2/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRAMQTEXYQJJHRG-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.49
Rot. Bonds8

About ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate

ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109052641) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109052641
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-27-20(25)14-7-9-17(10-8-14)22-19(24)16-6-4-5-15(13-16)18(23)21-11-12-26-2/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRAMQTEXYQJJHRG-UHFFFAOYSA-N
XLogP2.49
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240
3-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052615
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
3-N-(4-ethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052772
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate (CID 109052641) is ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is RAMQTEXYQJJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-20(25)14-7-9-17(10-8-14)22-19(24)16-6-4-5-15(13-16)18(23)21-11-12-26-2/h4-10,13H,3,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate?
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109052641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).