methyl 3-methyl-4-morpholin-4-ylbenzoate

C13H17NO3 — CID 67528858

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

About methyl 3-methyl-4-morpholin-4-ylbenzoate

methyl 3-methyl-4-morpholin-4-ylbenzoate (PubChem CID 67528858) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 3-methyl-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-morpholin-4-ylbenzoate
PubChem CID67528858
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-methyl-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(C)c1
InChIInChI=1S/C13H17NO3/c1-10-9-11(13(15)16-2)3-4-12(10)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKeyPUWGRZKIWMAQQD-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 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
methyl 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoate
CID 100918244
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
CID 17027218
methyl 4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-morpholin-4-ylbenzoate
CID 164529974
methyl 3-methyl-4-(oxan-4-yl)benzoate
CID 163758903

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-morpholin-4-ylbenzoate?
The IUPAC name of methyl 3-methyl-4-morpholin-4-ylbenzoate (CID 67528858) is methyl 3-methyl-4-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 3-methyl-4-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 3-methyl-4-morpholin-4-ylbenzoate is COC(=O)c1ccc(N2CCOCC2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-morpholin-4-ylbenzoate?
The InChIKey is PUWGRZKIWMAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-11(13(15)16-2)3-4-12(10)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 3-methyl-4-morpholin-4-ylbenzoate?
methyl 3-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 3-methyl-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 67528858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).