methyl 2-methyl-4-morpholin-4-ylbenzoate

C13H17NO3 — CID 90024135

IUPACmethyl 2-methyl-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C13H17NO3/c1-10-9-11(14-5-7-17-8-6-14)3-4-12(10)13(15)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyOVHSAINTZRVAGP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-methyl-4-morpholin-4-ylbenzoate

methyl 2-methyl-4-morpholin-4-ylbenzoate (PubChem CID 90024135) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-methyl-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-morpholin-4-ylbenzoate
PubChem CID90024135
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-methyl-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C13H17NO3/c1-10-9-11(14-5-7-17-8-6-14)3-4-12(10)13(15)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyOVHSAINTZRVAGP-UHFFFAOYSA-N
XLogP1.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]benzoate
CID 118432216
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 4-methyl-3-[(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzoate
CID 126103179
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 2-[(3-amino-2-methylbutanoyl)amino]-5-morpholin-4-ylbenzoate
CID 120502747
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-5-morpholin-4-ylbenzoate
CID 134033514
methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
methyl 2-[(2,6-dichloropyridine-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 71881377
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-methyl-4-morpholin-4-ylbenzoate (CID 90024135) is methyl 2-methyl-4-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-methyl-4-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-methyl-4-morpholin-4-ylbenzoate is COC(=O)c1ccc(N2CCOCC2)cc1C.
What is the InChIKey of methyl 2-methyl-4-morpholin-4-ylbenzoate?
The InChIKey is OVHSAINTZRVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-11(14-5-7-17-8-6-14)3-4-12(10)13(15)16-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 2-methyl-4-morpholin-4-ylbenzoate?
methyl 2-methyl-4-morpholin-4-ylbenzoate has a molecular weight of 235.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 90024135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).