methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate

C14H17NO4 — CID 78926771

IUPACmethyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc(C)c2)CCO1
InChIInChI=1S/C14H17NO4/c1-10-4-3-5-11(8-10)13(16)15-6-7-19-12(9-15)14(17)18-2/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyJHRILHBOLNTVOX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.01
Rot. Bonds2

About methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate

methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate (PubChem CID 78926771) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
PubChem CID78926771
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cccc(C)c2)CCO1
InChIInChI=1S/C14H17NO4/c1-10-4-3-5-11(8-10)13(16)15-6-7-19-12(9-15)14(17)18-2/h3-5,8,12H,6-7,9H2,1-2H3
InChIKeyJHRILHBOLNTVOX-UHFFFAOYSA-N
XLogP1.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(chloromethyl)benzoyl]morpholine-2-carboxylate
CID 115534248
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(4-amino-3-hydroxybenzoyl)morpholine-2-carboxylate
CID 107075785
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate (CID 78926771) is methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cccc(C)c2)CCO1.
What is the InChIKey of methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate?
The InChIKey is JHRILHBOLNTVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10-4-3-5-11(8-10)13(16)15-6-7-19-12(9-15)14(17)18-2/h3-5,8,12H,6-7,9H2,1-2H3.
What are the key properties of methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate?
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).