methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate

C15H19NO4 — CID 78926701

IUPACmethyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc(C)c2C)CCO1
InChIInChI=1S/C15H19NO4/c1-10-5-4-6-12(11(10)2)14(17)16-7-8-20-13(9-16)15(18)19-3/h4-6,13H,7-9H2,1-3H3
InChIKeyALGYMJPLLBLNNE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds2

About methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate

methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate (PubChem CID 78926701) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
PubChem CID78926701
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc(C)c2C)CCO1
InChIInChI=1S/C15H19NO4/c1-10-5-4-6-12(11(10)2)14(17)16-7-8-20-13(9-16)15(18)19-3/h4-6,13H,7-9H2,1-3H3
InChIKeyALGYMJPLLBLNNE-UHFFFAOYSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
methyl 4-(2-amino-5-bromobenzoyl)morpholine-2-carboxylate
CID 115534989
methyl 4-(4-amino-2-methoxybenzoyl)morpholine-2-carboxylate
CID 115533203
methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate (CID 78926701) is methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cccc(C)c2C)CCO1.
What is the InChIKey of methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate?
The InChIKey is ALGYMJPLLBLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-5-4-6-12(11(10)2)14(17)16-7-8-20-13(9-16)15(18)19-3/h4-6,13H,7-9H2,1-3H3.
What are the key properties of methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate?
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).