methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride

C17H25Cl2N3O5 — CID 119840964

IUPACmethyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C17H23N3O5.2ClH/c1-23-17(22)13-10-12(20-5-8-24-9-6-20)2-3-14(13)19-16(21)15-11-18-4-7-25-15;;/h2-3,10,15,18H,4-9,11H2,1H3,(H,19,21);2*1H
InChIKeyFXXFLILLSWIOLH-UHFFFAOYSA-N
MW422.31 g/mol
LogP1.08
Rot. Bonds4

About methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride

methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride (PubChem CID 119840964) has the molecular formula C17H25Cl2N3O5 and a molecular weight of 422.31 g/mol. Its IUPAC name is methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
PubChem CID119840964
Molecular FormulaC17H25Cl2N3O5
Molecular Weight422.31 g/mol
Exact Mass421.12
IUPAC Namemethyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CNCCO1.Cl.Cl
InChIInChI=1S/C17H23N3O5.2ClH/c1-23-17(22)13-10-12(20-5-8-24-9-6-20)2-3-14(13)19-16(21)15-11-18-4-7-25-15;;/h2-3,10,15,18H,4-9,11H2,1H3,(H,19,21);2*1H
InChIKeyFXXFLILLSWIOLH-UHFFFAOYSA-N
XLogP1.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-morpholin-4-yl-2-(pyrrolidine-3-carbonylamino)benzoate;dihydrochloride
CID 119840974
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 120797586
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
N-(5-bromo-2-morpholin-4-ylphenyl)morpholine-2-carboxamide
CID 119833788
dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119673723
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389

Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The IUPAC name of methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride (CID 119840964) is methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride.
What is the SMILES notation for methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The canonical SMILES for methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CNCCO1.Cl.Cl.
What is the InChIKey of methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
The InChIKey is FXXFLILLSWIOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5.2ClH/c1-23-17(22)13-10-12(20-5-8-24-9-6-20)2-3-14(13)19-16(21)15-11-18-4-7-25-15;;/h2-3,10,15,18H,4-9,11H2,1H3,(H,19,21);2*1H.
What are the key properties of methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride?
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride has a molecular weight of 422.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride is sourced from PubChem (CID 119840964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).