ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate

C15H22N2O4 — CID 108994192

IUPACethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)NCCCOC
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)12-7-4-5-8-13(12)17-11-14(18)16-9-6-10-20-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyWIKQWACYSNBYHS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.43
Rot. Bonds9

About ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate

ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate (PubChem CID 108994192) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
PubChem CID108994192
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)NCCCOC
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)12-7-4-5-8-13(12)17-11-14(18)16-9-6-10-20-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18)
InChIKeyWIKQWACYSNBYHS-UHFFFAOYSA-N
XLogP1.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.43
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 2-[[3-(3-methoxypropylamino)-3-oxopropanoyl]amino]benzoate
CID 108943413
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54824114
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825892
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate (CID 108994192) is ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)NCCCOC.
What is the InChIKey of ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate?
The InChIKey is WIKQWACYSNBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)12-7-4-5-8-13(12)17-11-14(18)16-9-6-10-20-2/h4-5,7-8,17H,3,6,9-11H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate?
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate has a molecular weight of 294.35 g/mol, XLogP of 1.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 108994192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).