methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate

C16H21NO4 — CID 79812518

IUPACmethyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)Cc2ccccc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-12-5-3-4-6-13(12)9-15(18)17-7-8-21-14(11-17)10-16(19)20-2/h3-6,14H,7-11H2,1-2H3
InChIKeyZINWLDWVQSYVSQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate

methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate (PubChem CID 79812518) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
PubChem CID79812518
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)Cc2ccccc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-12-5-3-4-6-13(12)9-15(18)17-7-8-21-14(11-17)10-16(19)20-2/h3-6,14H,7-11H2,1-2H3
InChIKeyZINWLDWVQSYVSQ-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663777
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate (CID 79812518) is methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)Cc2ccccc2C)CCO1.
What is the InChIKey of methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate?
The InChIKey is ZINWLDWVQSYVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-5-3-4-6-13(12)9-15(18)17-7-8-21-14(11-17)10-16(19)20-2/h3-6,14H,7-11H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate?
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79812518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).