dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride

C15H19ClN2O6 — CID 119673723

IUPACdimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)C2CNCCO2)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C15H18N2O6.ClH/c1-21-14(19)9-5-10(15(20)22-2)7-11(6-9)17-13(18)12-8-16-3-4-23-12;/h5-7,12,16H,3-4,8H2,1-2H3,(H,17,18);1H
InChIKeyFFANIWWOECGMCV-UHFFFAOYSA-N
MW358.78 g/mol
LogP0.61
Rot. Bonds4

About dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride

dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride (PubChem CID 119673723) has the molecular formula C15H19ClN2O6 and a molecular weight of 358.78 g/mol. Its IUPAC name is dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
PubChem CID119673723
Molecular FormulaC15H19ClN2O6
Molecular Weight358.78 g/mol
Exact Mass358.09
IUPAC Namedimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
SMILESCOC(=O)c1cc(NC(=O)C2CNCCO2)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C15H18N2O6.ClH/c1-21-14(19)9-5-10(15(20)22-2)7-11(6-9)17-13(18)12-8-16-3-4-23-12;/h5-7,12,16H,3-4,8H2,1-2H3,(H,17,18);1H
InChIKeyFFANIWWOECGMCV-UHFFFAOYSA-N
XLogP0.61
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
CID 119748523
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride?
The IUPAC name of dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride (CID 119673723) is dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride.
What is the SMILES notation for dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride?
The canonical SMILES for dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride is COC(=O)c1cc(NC(=O)C2CNCCO2)cc(C(=O)OC)c1.Cl.
What is the InChIKey of dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride?
The InChIKey is FFANIWWOECGMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6.ClH/c1-21-14(19)9-5-10(15(20)22-2)7-11(6-9)17-13(18)12-8-16-3-4-23-12;/h5-7,12,16H,3-4,8H2,1-2H3,(H,17,18);1H.
What are the key properties of dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride?
dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride has a molecular weight of 358.78 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride is sourced from PubChem (CID 119673723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).