ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride

C13H19ClN2O3 — CID 70000675

IUPACethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1cccc(NC(=O)CN(C)C)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-4-18-13(17)10-6-5-7-11(8-10)14-12(16)9-15(2)3;/h5-8H,4,9H2,1-3H3,(H,14,16);1H
InChIKeyZSBMDKXLNRRSEM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.79
Rot. Bonds5

About ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride

ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride (PubChem CID 70000675) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
PubChem CID70000675
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Nameethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1cccc(NC(=O)CN(C)C)c1.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-4-18-13(17)10-6-5-7-11(8-10)14-12(16)9-15(2)3;/h5-8H,4,9H2,1-3H3,(H,14,16);1H
InChIKeyZSBMDKXLNRRSEM-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-(4-hydroxybutanoylamino)benzoate
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ethyl 3-[[2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetyl]amino]benzoate
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ethyl 3-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119692734
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[[2-(2,5-dimethylphenyl)acetyl]amino]benzoate
CID 38005419
ethyl 3-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfonylacetyl]amino]benzoate
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ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
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ethyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride?
The IUPAC name of ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride (CID 70000675) is ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride is CCOC(=O)c1cccc(NC(=O)CN(C)C)c1.Cl.
What is the InChIKey of ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride?
The InChIKey is ZSBMDKXLNRRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-4-18-13(17)10-6-5-7-11(8-10)14-12(16)9-15(2)3;/h5-8H,4,9H2,1-3H3,(H,14,16);1H.
What are the key properties of ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride?
ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(dimethylamino)acetyl]amino]benzoate;hydrochloride is sourced from PubChem (CID 70000675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).