methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate

C16H21NO4 — CID 79812703

IUPACmethyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(C)cc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-11-4-5-14(12(2)8-11)16(19)17-6-7-21-13(10-17)9-15(18)20-3/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyFTIHBCHFMNVJLC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate

methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate (PubChem CID 79812703) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
PubChem CID79812703
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(C)cc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-11-4-5-14(12(2)8-11)16(19)17-6-7-21-13(10-17)9-15(18)20-3/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyFTIHBCHFMNVJLC-UHFFFAOYSA-N
XLogP1.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 115679286
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
methyl 2-[4-(5-methylpyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806162
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate (CID 79812703) is methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2ccc(C)cc2C)CCO1.
What is the InChIKey of methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate?
The InChIKey is FTIHBCHFMNVJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-5-14(12(2)8-11)16(19)17-6-7-21-13(10-17)9-15(18)20-3/h4-5,8,13H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79812703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).