dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride

C17H23ClN2O6 — CID 119673691

IUPACdimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)CNCC2CCCO2)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C17H22N2O6.ClH/c1-23-16(21)11-6-12(17(22)24-2)8-13(7-11)19-15(20)10-18-9-14-4-3-5-25-14;/h6-8,14,18H,3-5,9-10H2,1-2H3,(H,19,20);1H
InChIKeyLSRIVOHXMBYBDB-UHFFFAOYSA-N
MW386.83 g/mol
LogP1.39
Rot. Bonds7

About dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride

dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride (PubChem CID 119673691) has the molecular formula C17H23ClN2O6 and a molecular weight of 386.83 g/mol. Its IUPAC name is dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
PubChem CID119673691
Molecular FormulaC17H23ClN2O6
Molecular Weight386.83 g/mol
Exact Mass386.12
IUPAC Namedimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)CNCC2CCCO2)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C17H22N2O6.ClH/c1-23-16(21)11-6-12(17(22)24-2)8-13(7-11)19-15(20)10-18-9-14-4-3-5-25-14;/h6-8,14,18H,3-5,9-10H2,1-2H3,(H,19,20);1H
InChIKeyLSRIVOHXMBYBDB-UHFFFAOYSA-N
XLogP1.39
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride with MolForge

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Related Compounds

dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
dimethyl 5-(oxolan-2-ylmethylcarbamoylamino)benzene-1,3-dicarboxylate
CID 3788789
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride?
The IUPAC name of dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride (CID 119673691) is dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride.
What is the SMILES notation for dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride?
The canonical SMILES for dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride is COC(=O)c1cc(NC(=O)CNCC2CCCO2)cc(C(=O)OC)c1.Cl.
What is the InChIKey of dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride?
The InChIKey is LSRIVOHXMBYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6.ClH/c1-23-16(21)11-6-12(17(22)24-2)8-13(7-11)19-15(20)10-18-9-14-4-3-5-25-14;/h6-8,14,18H,3-5,9-10H2,1-2H3,(H,19,20);1H.
What are the key properties of dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride?
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride has a molecular weight of 386.83 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate;hydrochloride is sourced from PubChem (CID 119673691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).