ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride

C14H21ClN2O4 — CID 119672462

IUPACethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-3-20-14(18)11-4-6-12(7-5-11)16-13(17)10-15-8-9-19-2;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H
InChIKeyQRTKZYISNOYLRF-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.46
Rot. Bonds8

About ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride

ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride (PubChem CID 119672462) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
PubChem CID119672462
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Nameethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-3-20-14(18)11-4-6-12(7-5-11)16-13(17)10-15-8-9-19-2;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H
InChIKeyQRTKZYISNOYLRF-UHFFFAOYSA-N
XLogP1.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.46
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

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ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
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CID 119797301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride (CID 119672462) is ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride is CCOC(=O)c1ccc(NC(=O)CNCCOC)cc1.Cl.
What is the InChIKey of ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride?
The InChIKey is QRTKZYISNOYLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c1-3-20-14(18)11-4-6-12(7-5-11)16-13(17)10-15-8-9-19-2;/h4-7,15H,3,8-10H2,1-2H3,(H,16,17);1H.
What are the key properties of ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride?
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride is sourced from PubChem (CID 119672462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).