methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate

C17H23NO4 — CID 122159279

IUPACmethyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2c(C)cc(C)cc2C)CCO1
InChIInChI=1S/C17H23NO4/c1-11-7-12(2)14(13(3)8-11)9-16(19)18-5-6-22-15(10-18)17(20)21-4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyMULNOEWBVPPYMD-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.55
Rot. Bonds3

About methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate (PubChem CID 122159279) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
PubChem CID122159279
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2c(C)cc(C)cc2C)CCO1
InChIInChI=1S/C17H23NO4/c1-11-7-12(2)14(13(3)8-11)9-16(19)18-5-6-22-15(10-18)17(20)21-4/h7-8,15H,5-6,9-10H2,1-4H3
InChIKeyMULNOEWBVPPYMD-UHFFFAOYSA-N
XLogP1.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
CID 78926667
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
CID 78926753
methyl 4-(3,5-dimethylphenyl)sulfonylmorpholine-2-carboxylate
CID 115536259
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
methyl 4-heptanoylmorpholine-2-carboxylate
CID 78926830

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate (CID 122159279) is methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Cc2c(C)cc(C)cc2C)CCO1.
What is the InChIKey of methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate?
The InChIKey is MULNOEWBVPPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-7-12(2)14(13(3)8-11)9-16(19)18-5-6-22-15(10-18)17(20)21-4/h7-8,15H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 122159279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).